data_5552 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5552 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments of the Catalytic Domain of Pac1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-10-10 _Entry.Accession_date 2002-10-10 _Entry.Last_release_date 2003-03-14 _Entry.Original_release_date 2003-03-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 A. Farooq . . . 5552 2 M.-M. Zhou . . . 5552 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5552 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 666 5552 '13C chemical shifts' 334 5552 '15N chemical shifts' 124 5552 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-03-14 2002-10-10 original author . 5552 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5552 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22465240 _Citation.DOI . _Citation.PubMed_ID 12575935 _Citation.Full_citation . _Citation.Title ; Solution Structure of the MAPK Phosphotase PAC-1: Catalytic Domain. Insights into Substrate-induced Enzymatic Activation of MKP ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 155 _Citation.Page_last 164 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A. Farooq . . . 5552 1 2 O. Plotnikova . . . 5552 1 3 G. Chaturvedi . . . 5552 1 4 S. Yan . . . 5552 1 5 L. Zeng . . . 5552 1 6 Q. Zhang . . . 5552 1 7 M.-M. Zhou . . . 5552 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'catalytic domain' 5552 1 'mapk phosphatase' 5552 1 PAC-1 5552 1 NMR 5552 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_phosphatase_2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_phosphatase_2 _Assembly.Entry_ID 5552 _Assembly.ID 1 _Assembly.Name 'DUAL SPECIFICITY PROTEIN PHOSPHATASE 2 (E.C.3.1.3.48)(E.C.3.1.3.16)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number '3.1.3.48 and 3.1.3.16' _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5552 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'dual specificity protein phosphatase 2' 1 $Pac1 . . . . . . . . . 5552 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1M3G . . . . . . 5552 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DUAL SPECIFICITY PROTEIN PHOSPHATASE 2 (E.C.3.1.3.48)(E.C.3.1.3.16)' system 5552 1 Pac1 abbreviation 5552 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pac1 _Entity.Sf_category entity _Entity.Sf_framecode Pac1 _Entity.Entry_ID 5552 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'dual specificity protein phosphatase 2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QGGPVEILPYLFLGSCSHSS DLQGLQACGITAVLNVSASC PNHFEGLFRYKSIPVEDNQM VEISAWFQEAIGFIDWVKNS GGRVLVHSQAGISRSATICL AYLMQSRRVRLDEAFDFVKQ RRGVISPNFSFMGQLLQFET QVLCH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5000 . PAC-1 . . . . . 97.24 141 100.00 100.00 2.06e-98 . . . . 5552 1 2 no PDB 1M3G . "Solution Structure Of The Catalytic Domain Of Mapk Phosphatase Pac-1: Insights Into Substrate-Induced Enzymatic Activation" . . . . . 100.00 145 100.00 100.00 9.55e-102 . . . . 5552 1 3 no GB AAA50779 . "protein tyrosine phosphatase [Homo sapiens]" . . . . . 100.00 314 99.31 99.31 2.34e-99 . . . . 5552 1 4 no GB AAA86112 . "dual-specific phosphoprotein phosphatase [Homo sapiens]" . . . . . 100.00 314 99.31 99.31 2.34e-99 . . . . 5552 1 5 no GB AAH07771 . "Dual specificity phosphatase 2 [Homo sapiens]" . . . . . 100.00 314 99.31 99.31 2.34e-99 . . . . 5552 1 6 no GB AAL57044 . "phosphatase [Homo sapiens]" . . . . . 51.03 170 100.00 100.00 4.80e-45 . . . . 5552 1 7 no GB AAY24222 . "unknown [Homo sapiens]" . . . . . 100.00 314 99.31 99.31 2.34e-99 . . . . 5552 1 8 no REF NP_004409 . "dual specificity protein phosphatase 2 [Homo sapiens]" . . . . . 100.00 314 99.31 99.31 2.34e-99 . . . . 5552 1 9 no REF XP_001111118 . "PREDICTED: dual specificity protein phosphatase 2-like, partial [Macaca mulatta]" . . . . . 77.24 251 99.11 99.11 4.90e-73 . . . . 5552 1 10 no REF XP_002757414 . "PREDICTED: dual specificity protein phosphatase 2 [Callithrix jacchus]" . . . . . 100.00 314 97.93 98.62 6.74e-98 . . . . 5552 1 11 no REF XP_002811694 . "PREDICTED: LOW QUALITY PROTEIN: dual specificity protein phosphatase 2 [Pongo abelii]" . . . . . 99.31 315 98.61 98.61 6.52e-98 . . . . 5552 1 12 no REF XP_003281084 . "PREDICTED: dual specificity protein phosphatase 2 [Nomascus leucogenys]" . . . . . 100.00 200 98.62 99.31 3.15e-99 . . . . 5552 1 13 no SP Q05923 . "RecName: Full=Dual specificity protein phosphatase 2; AltName: Full=Dual specificity protein phosphatase PAC-1 [Homo sapiens]" . . . . . 100.00 314 99.31 99.31 2.34e-99 . . . . 5552 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'dual specificity protein phosphatase 2' common 5552 1 Pac1 abbreviation 5552 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 170 GLN . 5552 1 2 171 GLY . 5552 1 3 172 GLY . 5552 1 4 173 PRO . 5552 1 5 174 VAL . 5552 1 6 175 GLU . 5552 1 7 176 ILE . 5552 1 8 177 LEU . 5552 1 9 178 PRO . 5552 1 10 179 TYR . 5552 1 11 180 LEU . 5552 1 12 181 PHE . 5552 1 13 182 LEU . 5552 1 14 183 GLY . 5552 1 15 184 SER . 5552 1 16 185 CYS . 5552 1 17 186 SER . 5552 1 18 187 HIS . 5552 1 19 188 SER . 5552 1 20 189 SER . 5552 1 21 190 ASP . 5552 1 22 191 LEU . 5552 1 23 192 GLN . 5552 1 24 193 GLY . 5552 1 25 194 LEU . 5552 1 26 195 GLN . 5552 1 27 196 ALA . 5552 1 28 197 CYS . 5552 1 29 198 GLY . 5552 1 30 199 ILE . 5552 1 31 200 THR . 5552 1 32 201 ALA . 5552 1 33 202 VAL . 5552 1 34 203 LEU . 5552 1 35 204 ASN . 5552 1 36 205 VAL . 5552 1 37 206 SER . 5552 1 38 207 ALA . 5552 1 39 208 SER . 5552 1 40 209 CYS . 5552 1 41 210 PRO . 5552 1 42 211 ASN . 5552 1 43 212 HIS . 5552 1 44 213 PHE . 5552 1 45 214 GLU . 5552 1 46 215 GLY . 5552 1 47 216 LEU . 5552 1 48 217 PHE . 5552 1 49 218 ARG . 5552 1 50 219 TYR . 5552 1 51 220 LYS . 5552 1 52 221 SER . 5552 1 53 222 ILE . 5552 1 54 223 PRO . 5552 1 55 224 VAL . 5552 1 56 225 GLU . 5552 1 57 226 ASP . 5552 1 58 227 ASN . 5552 1 59 228 GLN . 5552 1 60 229 MET . 5552 1 61 230 VAL . 5552 1 62 231 GLU . 5552 1 63 232 ILE . 5552 1 64 233 SER . 5552 1 65 234 ALA . 5552 1 66 235 TRP . 5552 1 67 236 PHE . 5552 1 68 237 GLN . 5552 1 69 238 GLU . 5552 1 70 239 ALA . 5552 1 71 240 ILE . 5552 1 72 241 GLY . 5552 1 73 242 PHE . 5552 1 74 243 ILE . 5552 1 75 244 ASP . 5552 1 76 245 TRP . 5552 1 77 246 VAL . 5552 1 78 247 LYS . 5552 1 79 248 ASN . 5552 1 80 249 SER . 5552 1 81 250 GLY . 5552 1 82 251 GLY . 5552 1 83 252 ARG . 5552 1 84 253 VAL . 5552 1 85 254 LEU . 5552 1 86 255 VAL . 5552 1 87 256 HIS . 5552 1 88 257 SER . 5552 1 89 258 GLN . 5552 1 90 259 ALA . 5552 1 91 260 GLY . 5552 1 92 261 ILE . 5552 1 93 262 SER . 5552 1 94 263 ARG . 5552 1 95 264 SER . 5552 1 96 265 ALA . 5552 1 97 266 THR . 5552 1 98 267 ILE . 5552 1 99 268 CYS . 5552 1 100 269 LEU . 5552 1 101 270 ALA . 5552 1 102 271 TYR . 5552 1 103 272 LEU . 5552 1 104 273 MET . 5552 1 105 274 GLN . 5552 1 106 275 SER . 5552 1 107 276 ARG . 5552 1 108 277 ARG . 5552 1 109 278 VAL . 5552 1 110 279 ARG . 5552 1 111 280 LEU . 5552 1 112 281 ASP . 5552 1 113 282 GLU . 5552 1 114 283 ALA . 5552 1 115 284 PHE . 5552 1 116 285 ASP . 5552 1 117 286 PHE . 5552 1 118 287 VAL . 5552 1 119 288 LYS . 5552 1 120 289 GLN . 5552 1 121 290 ARG . 5552 1 122 291 ARG . 5552 1 123 292 GLY . 5552 1 124 293 VAL . 5552 1 125 294 ILE . 5552 1 126 295 SER . 5552 1 127 296 PRO . 5552 1 128 297 ASN . 5552 1 129 298 PHE . 5552 1 130 299 SER . 5552 1 131 300 PHE . 5552 1 132 301 MET . 5552 1 133 302 GLY . 5552 1 134 303 GLN . 5552 1 135 304 LEU . 5552 1 136 305 LEU . 5552 1 137 306 GLN . 5552 1 138 307 PHE . 5552 1 139 308 GLU . 5552 1 140 309 THR . 5552 1 141 310 GLN . 5552 1 142 311 VAL . 5552 1 143 312 LEU . 5552 1 144 313 CYS . 5552 1 145 314 HIS . 5552 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLN 1 1 5552 1 . GLY 2 2 5552 1 . GLY 3 3 5552 1 . PRO 4 4 5552 1 . VAL 5 5 5552 1 . GLU 6 6 5552 1 . ILE 7 7 5552 1 . LEU 8 8 5552 1 . PRO 9 9 5552 1 . TYR 10 10 5552 1 . LEU 11 11 5552 1 . PHE 12 12 5552 1 . LEU 13 13 5552 1 . GLY 14 14 5552 1 . SER 15 15 5552 1 . CYS 16 16 5552 1 . SER 17 17 5552 1 . HIS 18 18 5552 1 . SER 19 19 5552 1 . SER 20 20 5552 1 . ASP 21 21 5552 1 . LEU 22 22 5552 1 . GLN 23 23 5552 1 . GLY 24 24 5552 1 . LEU 25 25 5552 1 . GLN 26 26 5552 1 . ALA 27 27 5552 1 . CYS 28 28 5552 1 . GLY 29 29 5552 1 . ILE 30 30 5552 1 . THR 31 31 5552 1 . ALA 32 32 5552 1 . VAL 33 33 5552 1 . LEU 34 34 5552 1 . ASN 35 35 5552 1 . VAL 36 36 5552 1 . SER 37 37 5552 1 . ALA 38 38 5552 1 . SER 39 39 5552 1 . CYS 40 40 5552 1 . PRO 41 41 5552 1 . ASN 42 42 5552 1 . HIS 43 43 5552 1 . PHE 44 44 5552 1 . GLU 45 45 5552 1 . GLY 46 46 5552 1 . LEU 47 47 5552 1 . PHE 48 48 5552 1 . ARG 49 49 5552 1 . TYR 50 50 5552 1 . LYS 51 51 5552 1 . SER 52 52 5552 1 . ILE 53 53 5552 1 . PRO 54 54 5552 1 . VAL 55 55 5552 1 . GLU 56 56 5552 1 . ASP 57 57 5552 1 . ASN 58 58 5552 1 . GLN 59 59 5552 1 . MET 60 60 5552 1 . VAL 61 61 5552 1 . GLU 62 62 5552 1 . ILE 63 63 5552 1 . SER 64 64 5552 1 . ALA 65 65 5552 1 . TRP 66 66 5552 1 . PHE 67 67 5552 1 . GLN 68 68 5552 1 . GLU 69 69 5552 1 . ALA 70 70 5552 1 . ILE 71 71 5552 1 . GLY 72 72 5552 1 . PHE 73 73 5552 1 . ILE 74 74 5552 1 . ASP 75 75 5552 1 . TRP 76 76 5552 1 . VAL 77 77 5552 1 . LYS 78 78 5552 1 . ASN 79 79 5552 1 . SER 80 80 5552 1 . GLY 81 81 5552 1 . GLY 82 82 5552 1 . ARG 83 83 5552 1 . VAL 84 84 5552 1 . LEU 85 85 5552 1 . VAL 86 86 5552 1 . HIS 87 87 5552 1 . SER 88 88 5552 1 . GLN 89 89 5552 1 . ALA 90 90 5552 1 . GLY 91 91 5552 1 . ILE 92 92 5552 1 . SER 93 93 5552 1 . ARG 94 94 5552 1 . SER 95 95 5552 1 . ALA 96 96 5552 1 . THR 97 97 5552 1 . ILE 98 98 5552 1 . CYS 99 99 5552 1 . LEU 100 100 5552 1 . ALA 101 101 5552 1 . TYR 102 102 5552 1 . LEU 103 103 5552 1 . MET 104 104 5552 1 . GLN 105 105 5552 1 . SER 106 106 5552 1 . ARG 107 107 5552 1 . ARG 108 108 5552 1 . VAL 109 109 5552 1 . ARG 110 110 5552 1 . LEU 111 111 5552 1 . ASP 112 112 5552 1 . GLU 113 113 5552 1 . ALA 114 114 5552 1 . PHE 115 115 5552 1 . ASP 116 116 5552 1 . PHE 117 117 5552 1 . VAL 118 118 5552 1 . LYS 119 119 5552 1 . GLN 120 120 5552 1 . ARG 121 121 5552 1 . ARG 122 122 5552 1 . GLY 123 123 5552 1 . VAL 124 124 5552 1 . ILE 125 125 5552 1 . SER 126 126 5552 1 . PRO 127 127 5552 1 . ASN 128 128 5552 1 . PHE 129 129 5552 1 . SER 130 130 5552 1 . PHE 131 131 5552 1 . MET 132 132 5552 1 . GLY 133 133 5552 1 . GLN 134 134 5552 1 . LEU 135 135 5552 1 . LEU 136 136 5552 1 . GLN 137 137 5552 1 . PHE 138 138 5552 1 . GLU 139 139 5552 1 . THR 140 140 5552 1 . GLN 141 141 5552 1 . VAL 142 142 5552 1 . LEU 143 143 5552 1 . CYS 144 144 5552 1 . HIS 145 145 5552 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5552 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Pac1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5552 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 5552 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Pac1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5552 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5552 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'dual specificity protein phosphatase 2' '[U-13C; U-15N]' . . 1 $Pac1 . . 0.5 . . mM . . . . 5552 1 2 'phosphate buffer' . . . . . . . 5 . . mM . . . . 5552 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5552 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . n/a 5552 1 temperature 298 . K 5552 1 'ionic strength' 10 . mM 5552 1 pressure 1 . atm 5552 1 stop_ save_ ############################ # Computer software used # ############################ save_XPLOR _Software.Sf_category software _Software.Sf_framecode XPLOR _Software.Entry_ID 5552 _Software.ID 1 _Software.Name XPLOR _Software.Version . _Software.Details BRUNGER loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5552 1 refinement 5552 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 5552 _Software.ID 2 _Software.Name ARIA _Software.Version . _Software.Details 'NILGES, O'DONOGHUE' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5552 2 refinement 5552 2 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5552 _Software.ID 3 _Software.Name XWINNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5552 3 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 5552 _Software.ID 4 _Software.Name NMRPIPE _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5552 4 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 5552 _Software.ID 5 _Software.Name NMRVIEW _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5552 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5552 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5552 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer BRUKER DRX . 600 . . . 5552 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5552 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5552 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5552 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5552 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5552 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5552 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5552 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5552 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 . . . . . . ppm . . . . . . . . . . . . . 5552 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 5552 1 C 13 . . . . . . ppm . . . . . . . . . . . . . 5552 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5552 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5552 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY CA C 13 44.73 0.00 . 1 . . . . 171 . . . 5552 1 2 . 1 1 3 3 GLY H H 1 8.16 0.00 . 1 . . . . 172 . . . 5552 1 3 . 1 1 3 3 GLY CA C 13 43.97 0.00 . 1 . . . . 172 . . . 5552 1 4 . 1 1 3 3 GLY N N 15 108.03 0.00 . 1 . . . . 172 . . . 5552 1 5 . 1 1 4 4 PRO CA C 13 61.82 0.00 . 1 . . . . 173 . . . 5552 1 6 . 1 1 4 4 PRO CB C 13 32.08 0.00 . 1 . . . . 173 . . . 5552 1 7 . 1 1 5 5 VAL H H 1 8.30 0.00 . 1 . . . . 174 . . . 5552 1 8 . 1 1 5 5 VAL HA H 1 4.04 0.00 . 1 . . . . 174 . . . 5552 1 9 . 1 1 5 5 VAL HB H 1 2.02 0.00 . 1 . . . . 174 . . . 5552 1 10 . 1 1 5 5 VAL HG11 H 1 1.07 0.00 . 1 . . . . 174 . . . 5552 1 11 . 1 1 5 5 VAL HG12 H 1 1.07 0.00 . 1 . . . . 174 . . . 5552 1 12 . 1 1 5 5 VAL HG13 H 1 1.07 0.00 . 1 . . . . 174 . . . 5552 1 13 . 1 1 5 5 VAL HG21 H 1 0.80 0.00 . 1 . . . . 174 . . . 5552 1 14 . 1 1 5 5 VAL HG22 H 1 0.80 0.00 . 1 . . . . 174 . . . 5552 1 15 . 1 1 5 5 VAL HG23 H 1 0.80 0.00 . 1 . . . . 174 . . . 5552 1 16 . 1 1 5 5 VAL CA C 13 62.17 0.00 . 1 . . . . 174 . . . 5552 1 17 . 1 1 5 5 VAL CB C 13 33.54 0.00 . 1 . . . . 174 . . . 5552 1 18 . 1 1 5 5 VAL CG1 C 13 21.70 0.00 . 1 . . . . 174 . . . 5552 1 19 . 1 1 5 5 VAL CG2 C 13 20.60 0.00 . 1 . . . . 174 . . . 5552 1 20 . 1 1 5 5 VAL N N 15 119.88 0.00 . 1 . . . . 174 . . . 5552 1 21 . 1 1 6 6 GLU H H 1 8.74 0.00 . 1 . . . . 175 . . . 5552 1 22 . 1 1 6 6 GLU HA H 1 4.06 0.00 . 1 . . . . 175 . . . 5552 1 23 . 1 1 6 6 GLU HB2 H 1 1.99 0.00 . 1 . . . . 175 . . . 5552 1 24 . 1 1 6 6 GLU HB3 H 1 1.63 0.00 . 1 . . . . 175 . . . 5552 1 25 . 1 1 6 6 GLU HG2 H 1 2.45 0.00 . 1 . . . . 175 . . . 5552 1 26 . 1 1 6 6 GLU HG3 H 1 2.90 0.00 . 1 . . . . 175 . . . 5552 1 27 . 1 1 6 6 GLU CA C 13 55.84 0.00 . 1 . . . . 175 . . . 5552 1 28 . 1 1 6 6 GLU CB C 13 29.28 0.00 . 1 . . . . 175 . . . 5552 1 29 . 1 1 6 6 GLU N N 15 130.10 0.00 . 1 . . . . 175 . . . 5552 1 30 . 1 1 7 7 ILE H H 1 8.66 0.00 . 1 . . . . 176 . . . 5552 1 31 . 1 1 7 7 ILE HA H 1 4.03 0.00 . 1 . . . . 176 . . . 5552 1 32 . 1 1 7 7 ILE HB H 1 1.99 0.00 . 1 . . . . 176 . . . 5552 1 33 . 1 1 7 7 ILE HG13 H 1 1.63 0.00 . 1 . . . . 176 . . . 5552 1 34 . 1 1 7 7 ILE HG21 H 1 1.00 0.00 . 1 . . . . 176 . . . 5552 1 35 . 1 1 7 7 ILE HG22 H 1 1.00 0.00 . 1 . . . . 176 . . . 5552 1 36 . 1 1 7 7 ILE HG23 H 1 1.00 0.00 . 1 . . . . 176 . . . 5552 1 37 . 1 1 7 7 ILE HD11 H 1 0.66 0.00 . 1 . . . . 176 . . . 5552 1 38 . 1 1 7 7 ILE HD12 H 1 0.66 0.00 . 1 . . . . 176 . . . 5552 1 39 . 1 1 7 7 ILE HD13 H 1 0.66 0.00 . 1 . . . . 176 . . . 5552 1 40 . 1 1 7 7 ILE CA C 13 61.08 0.00 . 1 . . . . 176 . . . 5552 1 41 . 1 1 7 7 ILE CB C 13 35.94 0.00 . 1 . . . . 176 . . . 5552 1 42 . 1 1 7 7 ILE CG2 C 13 18.67 0.00 . 1 . . . . 176 . . . 5552 1 43 . 1 1 7 7 ILE CD1 C 13 10.11 0.00 . 1 . . . . 176 . . . 5552 1 44 . 1 1 7 7 ILE N N 15 130.10 0.00 . 1 . . . . 176 . . . 5552 1 45 . 1 1 8 8 LEU H H 1 8.01 0.00 . 1 . . . . 177 . . . 5552 1 46 . 1 1 8 8 LEU HA H 1 4.77 0.00 . 1 . . . . 177 . . . 5552 1 47 . 1 1 8 8 LEU HB3 H 1 1.96 0.00 . 1 . . . . 177 . . . 5552 1 48 . 1 1 8 8 LEU HG H 1 0.99 0.00 . 1 . . . . 177 . . . 5552 1 49 . 1 1 8 8 LEU HD11 H 1 0.58 0.00 . 1 . . . . 177 . . . 5552 1 50 . 1 1 8 8 LEU HD12 H 1 0.58 0.00 . 1 . . . . 177 . . . 5552 1 51 . 1 1 8 8 LEU HD13 H 1 0.58 0.00 . 1 . . . . 177 . . . 5552 1 52 . 1 1 8 8 LEU CA C 13 51.48 0.00 . 1 . . . . 177 . . . 5552 1 53 . 1 1 8 8 LEU CB C 13 42.26 0.00 . 1 . . . . 177 . . . 5552 1 54 . 1 1 8 8 LEU N N 15 116.54 0.00 . 1 . . . . 177 . . . 5552 1 55 . 1 1 9 9 PRO CA C 13 65.08 0.00 . 1 . . . . 178 . . . 5552 1 56 . 1 1 9 9 PRO CB C 13 31.27 0.00 . 1 . . . . 178 . . . 5552 1 57 . 1 1 10 10 TYR H H 1 5.70 0.00 . 1 . . . . 179 . . . 5552 1 58 . 1 1 10 10 TYR HA H 1 5.02 0.00 . 1 . . . . 179 . . . 5552 1 59 . 1 1 10 10 TYR HB2 H 1 2.90 0.00 . 1 . . . . 179 . . . 5552 1 60 . 1 1 10 10 TYR CA C 13 52.90 0.00 . 1 . . . . 179 . . . 5552 1 61 . 1 1 10 10 TYR CB C 13 38.55 0.00 . 1 . . . . 179 . . . 5552 1 62 . 1 1 10 10 TYR N N 15 130.10 0.00 . 1 . . . . 179 . . . 5552 1 63 . 1 1 11 11 LEU H H 1 7.68 0.00 . 1 . . . . 180 . . . 5552 1 64 . 1 1 11 11 LEU HA H 1 5.14 0.00 . 1 . . . . 180 . . . 5552 1 65 . 1 1 11 11 LEU CA C 13 54.60 0.00 . 1 . . . . 180 . . . 5552 1 66 . 1 1 11 11 LEU CB C 13 46.28 0.00 . 1 . . . . 180 . . . 5552 1 67 . 1 1 11 11 LEU N N 15 126.97 0.00 . 1 . . . . 180 . . . 5552 1 68 . 1 1 12 12 PHE H H 1 9.42 0.00 . 1 . . . . 181 . . . 5552 1 69 . 1 1 12 12 PHE HA H 1 5.39 0.00 . 1 . . . . 181 . . . 5552 1 70 . 1 1 12 12 PHE HB2 H 1 2.42 0.00 . 1 . . . . 181 . . . 5552 1 71 . 1 1 12 12 PHE HB3 H 1 2.79 0.00 . 1 . . . . 181 . . . 5552 1 72 . 1 1 12 12 PHE HD1 H 1 6.73 0.00 . 3 . . . . 181 . . . 5552 1 73 . 1 1 12 12 PHE HE1 H 1 7.28 0.00 . 3 . . . . 181 . . . 5552 1 74 . 1 1 12 12 PHE CA C 13 55.38 0.00 . 1 . . . . 181 . . . 5552 1 75 . 1 1 12 12 PHE CB C 13 42.16 0.00 . 1 . . . . 181 . . . 5552 1 76 . 1 1 12 12 PHE N N 15 128.01 0.00 . 1 . . . . 181 . . . 5552 1 77 . 1 1 13 13 LEU H H 1 9.24 0.00 . 1 . . . . 182 . . . 5552 1 78 . 1 1 13 13 LEU HA H 1 5.52 0.00 . 1 . . . . 182 . . . 5552 1 79 . 1 1 13 13 LEU HB2 H 1 1.45 0.00 . 1 . . . . 182 . . . 5552 1 80 . 1 1 13 13 LEU HB3 H 1 1.64 0.00 . 1 . . . . 182 . . . 5552 1 81 . 1 1 13 13 LEU HG H 1 1.47 0.00 . 1 . . . . 182 . . . 5552 1 82 . 1 1 13 13 LEU HD11 H 1 0.74 0.00 . 1 . . . . 182 . . . 5552 1 83 . 1 1 13 13 LEU HD12 H 1 0.74 0.00 . 1 . . . . 182 . . . 5552 1 84 . 1 1 13 13 LEU HD13 H 1 0.74 0.00 . 1 . . . . 182 . . . 5552 1 85 . 1 1 13 13 LEU HD21 H 1 0.92 0.00 . 1 . . . . 182 . . . 5552 1 86 . 1 1 13 13 LEU HD22 H 1 0.92 0.00 . 1 . . . . 182 . . . 5552 1 87 . 1 1 13 13 LEU HD23 H 1 0.92 0.00 . 1 . . . . 182 . . . 5552 1 88 . 1 1 13 13 LEU CA C 13 53.09 0.00 . 1 . . . . 182 . . . 5552 1 89 . 1 1 13 13 LEU CB C 13 46.48 0.00 . 1 . . . . 182 . . . 5552 1 90 . 1 1 13 13 LEU CG C 13 28.03 0.00 . 1 . . . . 182 . . . 5552 1 91 . 1 1 13 13 LEU CD1 C 13 26.66 0.00 . 1 . . . . 182 . . . 5552 1 92 . 1 1 13 13 LEU CD2 C 13 22.80 0.00 . 1 . . . . 182 . . . 5552 1 93 . 1 1 13 13 LEU N N 15 124.89 0.00 . 1 . . . . 182 . . . 5552 1 94 . 1 1 14 14 GLY H H 1 8.42 0.00 . 1 . . . . 183 . . . 5552 1 95 . 1 1 14 14 GLY HA2 H 1 4.19 0.00 . 1 . . . . 183 . . . 5552 1 96 . 1 1 14 14 GLY HA3 H 1 4.79 0.00 . 1 . . . . 183 . . . 5552 1 97 . 1 1 14 14 GLY CA C 13 45.46 0.00 . 1 . . . . 183 . . . 5552 1 98 . 1 1 14 14 GLY N N 15 111.12 0.00 . 1 . . . . 183 . . . 5552 1 99 . 1 1 15 15 SER H H 1 10.84 0.00 . 1 . . . . 184 . . . 5552 1 100 . 1 1 15 15 SER HA H 1 4.56 0.00 . 1 . . . . 184 . . . 5552 1 101 . 1 1 15 15 SER HB2 H 1 3.00 0.00 . 1 . . . . 184 . . . 5552 1 102 . 1 1 15 15 SER CA C 13 56.00 0.00 . 1 . . . . 184 . . . 5552 1 103 . 1 1 15 15 SER CB C 13 67.14 0.00 . 1 . . . . 184 . . . 5552 1 104 . 1 1 15 15 SER N N 15 119.67 0.00 . 1 . . . . 184 . . . 5552 1 105 . 1 1 16 16 CYS H H 1 8.67 0.00 . 1 . . . . 185 . . . 5552 1 106 . 1 1 16 16 CYS HA H 1 4.36 0.00 . 1 . . . . 185 . . . 5552 1 107 . 1 1 16 16 CYS CA C 13 60.51 0.00 . 1 . . . . 185 . . . 5552 1 108 . 1 1 16 16 CYS CB C 13 26.74 0.00 . 1 . . . . 185 . . . 5552 1 109 . 1 1 16 16 CYS N N 15 119.05 0.00 . 1 . . . . 185 . . . 5552 1 110 . 1 1 17 17 SER CA C 13 61.08 0.00 . 1 . . . . 186 . . . 5552 1 111 . 1 1 18 18 HIS H H 1 6.92 0.00 . 1 . . . . 187 . . . 5552 1 112 . 1 1 18 18 HIS HA H 1 4.49 0.00 . 1 . . . . 187 . . . 5552 1 113 . 1 1 18 18 HIS HB3 H 1 3.24 0.00 . 1 . . . . 187 . . . 5552 1 114 . 1 1 18 18 HIS HD2 H 1 7.17 0.00 . 1 . . . . 187 . . . 5552 1 115 . 1 1 18 18 HIS CA C 13 59.12 0.00 . 1 . . . . 187 . . . 5552 1 116 . 1 1 18 18 HIS CB C 13 31.24 0.00 . 1 . . . . 187 . . . 5552 1 117 . 1 1 18 18 HIS N N 15 120.73 0.00 . 1 . . . . 187 . . . 5552 1 118 . 1 1 19 19 SER H H 1 7.33 0.00 . 1 . . . . 188 . . . 5552 1 119 . 1 1 19 19 SER HA H 1 3.76 0.00 . 1 . . . . 188 . . . 5552 1 120 . 1 1 19 19 SER HB3 H 1 4.77 0.00 . 1 . . . . 188 . . . 5552 1 121 . 1 1 19 19 SER CA C 13 60.36 0.00 . 1 . . . . 188 . . . 5552 1 122 . 1 1 19 19 SER CB C 13 62.45 0.00 . 1 . . . . 188 . . . 5552 1 123 . 1 1 19 19 SER N N 15 112.26 0.00 . 1 . . . . 188 . . . 5552 1 124 . 1 1 20 20 SER H H 1 7.19 0.00 . 1 . . . . 189 . . . 5552 1 125 . 1 1 20 20 SER HA H 1 4.29 0.00 . 1 . . . . 189 . . . 5552 1 126 . 1 1 20 20 SER HB2 H 1 2.94 0.00 . 1 . . . . 189 . . . 5552 1 127 . 1 1 20 20 SER HB3 H 1 3.59 0.00 . 1 . . . . 189 . . . 5552 1 128 . 1 1 20 20 SER CA C 13 57.24 0.00 . 1 . . . . 189 . . . 5552 1 129 . 1 1 20 20 SER CB C 13 63.55 0.00 . 1 . . . . 189 . . . 5552 1 130 . 1 1 20 20 SER N N 15 113.83 0.00 . 1 . . . . 189 . . . 5552 1 131 . 1 1 21 21 ASP H H 1 7.02 0.00 . 1 . . . . 190 . . . 5552 1 132 . 1 1 21 21 ASP HA H 1 4.94 0.00 . 1 . . . . 190 . . . 5552 1 133 . 1 1 21 21 ASP HB2 H 1 2.57 0.00 . 1 . . . . 190 . . . 5552 1 134 . 1 1 21 21 ASP HB3 H 1 3.17 0.00 . 1 . . . . 190 . . . 5552 1 135 . 1 1 21 21 ASP CA C 13 51.52 0.00 . 1 . . . . 190 . . . 5552 1 136 . 1 1 21 21 ASP CB C 13 40.70 0.00 . 1 . . . . 190 . . . 5552 1 137 . 1 1 21 21 ASP N N 15 123.87 0.00 . 1 . . . . 190 . . . 5552 1 138 . 1 1 22 22 LEU H H 1 8.39 0.00 . 1 . . . . 191 . . . 5552 1 139 . 1 1 22 22 LEU HA H 1 3.49 0.00 . 1 . . . . 191 . . . 5552 1 140 . 1 1 22 22 LEU HB2 H 1 0.95 0.00 . 1 . . . . 191 . . . 5552 1 141 . 1 1 22 22 LEU HB3 H 1 1.49 0.00 . 1 . . . . 191 . . . 5552 1 142 . 1 1 22 22 LEU HG H 1 1.15 0.00 . 1 . . . . 191 . . . 5552 1 143 . 1 1 22 22 LEU HD11 H 1 0.56 0.00 . 1 . . . . 191 . . . 5552 1 144 . 1 1 22 22 LEU HD12 H 1 0.56 0.00 . 1 . . . . 191 . . . 5552 1 145 . 1 1 22 22 LEU HD13 H 1 0.56 0.00 . 1 . . . . 191 . . . 5552 1 146 . 1 1 22 22 LEU HD21 H 1 0.28 0.00 . 1 . . . . 191 . . . 5552 1 147 . 1 1 22 22 LEU HD22 H 1 0.28 0.00 . 1 . . . . 191 . . . 5552 1 148 . 1 1 22 22 LEU HD23 H 1 0.28 0.00 . 1 . . . . 191 . . . 5552 1 149 . 1 1 22 22 LEU CA C 13 58.05 0.00 . 1 . . . . 191 . . . 5552 1 150 . 1 1 22 22 LEU CB C 13 40.97 0.00 . 1 . . . . 191 . . . 5552 1 151 . 1 1 22 22 LEU CG C 13 26.10 0.00 . 1 . . . . 191 . . . 5552 1 152 . 1 1 22 22 LEU CD1 C 13 25.80 0.00 . 1 . . . . 191 . . . 5552 1 153 . 1 1 22 22 LEU CD2 C 13 22.25 0.00 . 1 . . . . 191 . . . 5552 1 154 . 1 1 22 22 LEU N N 15 126.34 0.00 . 1 . . . . 191 . . . 5552 1 155 . 1 1 23 23 GLN H H 1 8.13 0.00 . 1 . . . . 192 . . . 5552 1 156 . 1 1 23 23 GLN HA H 1 4.02 0.00 . 1 . . . . 192 . . . 5552 1 157 . 1 1 23 23 GLN HB3 H 1 2.06 0.00 . 1 . . . . 192 . . . 5552 1 158 . 1 1 23 23 GLN HG3 H 1 2.43 0.00 . 1 . . . . 192 . . . 5552 1 159 . 1 1 23 23 GLN CA C 13 58.75 0.00 . 1 . . . . 192 . . . 5552 1 160 . 1 1 23 23 GLN CB C 13 27.48 0.00 . 1 . . . . 192 . . . 5552 1 161 . 1 1 23 23 GLN CG C 13 34.09 0.00 . 1 . . . . 192 . . . 5552 1 162 . 1 1 23 23 GLN N N 15 115.92 0.00 . 1 . . . . 192 . . . 5552 1 163 . 1 1 24 24 GLY H H 1 8.01 0.00 . 1 . . . . 193 . . . 5552 1 164 . 1 1 24 24 GLY HA2 H 1 3.74 0.00 . 1 . . . . 193 . . . 5552 1 165 . 1 1 24 24 GLY HA3 H 1 3.82 0.00 . 1 . . . . 193 . . . 5552 1 166 . 1 1 24 24 GLY CA C 13 46.75 0.00 . 1 . . . . 193 . . . 5552 1 167 . 1 1 24 24 GLY N N 15 109.72 0.00 . 1 . . . . 193 . . . 5552 1 168 . 1 1 25 25 LEU H H 1 7.96 0.00 . 1 . . . . 194 . . . 5552 1 169 . 1 1 25 25 LEU HA H 1 3.99 0.00 . 1 . . . . 194 . . . 5552 1 170 . 1 1 25 25 LEU CA C 13 57.26 0.00 . 1 . . . . 194 . . . 5552 1 171 . 1 1 25 25 LEU CB C 13 40.74 0.00 . 1 . . . . 194 . . . 5552 1 172 . 1 1 25 25 LEU N N 15 121.55 0.00 . 1 . . . . 194 . . . 5552 1 173 . 1 1 26 26 GLN H H 1 8.50 0.00 . 1 . . . . 195 . . . 5552 1 174 . 1 1 26 26 GLN HA H 1 4.23 0.00 . 1 . . . . 195 . . . 5552 1 175 . 1 1 26 26 GLN HB2 H 1 1.96 0.00 . 1 . . . . 195 . . . 5552 1 176 . 1 1 26 26 GLN HB3 H 1 2.17 0.00 . 1 . . . . 195 . . . 5552 1 177 . 1 1 26 26 GLN HG2 H 1 2.35 0.00 . 1 . . . . 195 . . . 5552 1 178 . 1 1 26 26 GLN HG3 H 1 2.65 0.00 . 1 . . . . 195 . . . 5552 1 179 . 1 1 26 26 GLN CA C 13 58.40 0.00 . 1 . . . . 195 . . . 5552 1 180 . 1 1 26 26 GLN CB C 13 27.51 0.00 . 1 . . . . 195 . . . 5552 1 181 . 1 1 26 26 GLN CG C 13 34.64 0.00 . 1 . . . . 195 . . . 5552 1 182 . 1 1 26 26 GLN N N 15 117.77 0.00 . 1 . . . . 195 . . . 5552 1 183 . 1 1 27 27 ALA H H 1 8.39 0.00 . 1 . . . . 196 . . . 5552 1 184 . 1 1 27 27 ALA HA H 1 4.14 0.00 . 1 . . . . 196 . . . 5552 1 185 . 1 1 27 27 ALA HB1 H 1 1.51 0.00 . 1 . . . . 196 . . . 5552 1 186 . 1 1 27 27 ALA HB2 H 1 1.51 0.00 . 1 . . . . 196 . . . 5552 1 187 . 1 1 27 27 ALA HB3 H 1 1.51 0.00 . 1 . . . . 196 . . . 5552 1 188 . 1 1 27 27 ALA CA C 13 53.92 0.00 . 1 . . . . 196 . . . 5552 1 189 . 1 1 27 27 ALA CB C 13 17.57 0.00 . 1 . . . . 196 . . . 5552 1 190 . 1 1 27 27 ALA N N 15 123.84 0.00 . 1 . . . . 196 . . . 5552 1 191 . 1 1 28 28 CYS H H 1 7.07 0.00 . 1 . . . . 197 . . . 5552 1 192 . 1 1 28 28 CYS HA H 1 4.26 0.00 . 1 . . . . 197 . . . 5552 1 193 . 1 1 28 28 CYS HB2 H 1 1.91 0.00 . 1 . . . . 197 . . . 5552 1 194 . 1 1 28 28 CYS HB3 H 1 2.35 0.00 . 1 . . . . 197 . . . 5552 1 195 . 1 1 28 28 CYS CA C 13 59.13 0.00 . 1 . . . . 197 . . . 5552 1 196 . 1 1 28 28 CYS CB C 13 27.80 0.00 . 1 . . . . 197 . . . 5552 1 197 . 1 1 28 28 CYS N N 15 112.79 0.00 . 1 . . . . 197 . . . 5552 1 198 . 1 1 29 29 GLY H H 1 7.67 0.00 . 1 . . . . 198 . . . 5552 1 199 . 1 1 29 29 GLY HA2 H 1 3.76 0.00 . 1 . . . . 198 . . . 5552 1 200 . 1 1 29 29 GLY HA3 H 1 4.12 0.00 . 1 . . . . 198 . . . 5552 1 201 . 1 1 29 29 GLY CA C 13 45.61 0.00 . 1 . . . . 198 . . . 5552 1 202 . 1 1 29 29 GLY N N 15 108.28 0.00 . 1 . . . . 198 . . . 5552 1 203 . 1 1 30 30 ILE H H 1 7.36 0.00 . 1 . . . . 199 . . . 5552 1 204 . 1 1 30 30 ILE HA H 1 3.49 0.00 . 1 . . . . 199 . . . 5552 1 205 . 1 1 30 30 ILE HB H 1 1.45 0.00 . 1 . . . . 199 . . . 5552 1 206 . 1 1 30 30 ILE HG12 H 1 0.85 0.00 . 1 . . . . 199 . . . 5552 1 207 . 1 1 30 30 ILE HG13 H 1 1.24 0.00 . 1 . . . . 199 . . . 5552 1 208 . 1 1 30 30 ILE HG21 H 1 0.60 0.00 . 1 . . . . 199 . . . 5552 1 209 . 1 1 30 30 ILE HG22 H 1 0.60 0.00 . 1 . . . . 199 . . . 5552 1 210 . 1 1 30 30 ILE HG23 H 1 0.60 0.00 . 1 . . . . 199 . . . 5552 1 211 . 1 1 30 30 ILE HD11 H 1 0.01 0.00 . 1 . . . . 199 . . . 5552 1 212 . 1 1 30 30 ILE HD12 H 1 0.01 0.00 . 1 . . . . 199 . . . 5552 1 213 . 1 1 30 30 ILE HD13 H 1 0.01 0.00 . 1 . . . . 199 . . . 5552 1 214 . 1 1 30 30 ILE CA C 13 60.25 0.00 . 1 . . . . 199 . . . 5552 1 215 . 1 1 30 30 ILE CB C 13 35.74 0.00 . 1 . . . . 199 . . . 5552 1 216 . 1 1 30 30 ILE CG2 C 13 18.87 0.00 . 1 . . . . 199 . . . 5552 1 217 . 1 1 30 30 ILE CD1 C 13 9.83 0.00 . 1 . . . . 199 . . . 5552 1 218 . 1 1 30 30 ILE N N 15 118.00 0.00 . 1 . . . . 199 . . . 5552 1 219 . 1 1 31 31 THR H H 1 9.11 0.00 . 1 . . . . 200 . . . 5552 1 220 . 1 1 31 31 THR HA H 1 4.97 0.00 . 1 . . . . 200 . . . 5552 1 221 . 1 1 31 31 THR HB H 1 4.57 0.00 . 1 . . . . 200 . . . 5552 1 222 . 1 1 31 31 THR HG21 H 1 1.29 0.00 . 1 . . . . 200 . . . 5552 1 223 . 1 1 31 31 THR HG22 H 1 1.29 0.00 . 1 . . . . 200 . . . 5552 1 224 . 1 1 31 31 THR HG23 H 1 1.29 0.00 . 1 . . . . 200 . . . 5552 1 225 . 1 1 31 31 THR CA C 13 61.35 0.00 . 1 . . . . 200 . . . 5552 1 226 . 1 1 31 31 THR CB C 13 69.89 0.00 . 1 . . . . 200 . . . 5552 1 227 . 1 1 31 31 THR CG2 C 13 20.87 0.00 . 1 . . . . 200 . . . 5552 1 228 . 1 1 31 31 THR N N 15 113.62 0.00 . 1 . . . . 200 . . . 5552 1 229 . 1 1 32 32 ALA H H 1 8.15 0.00 . 1 . . . . 201 . . . 5552 1 230 . 1 1 32 32 ALA HA H 1 5.52 0.00 . 1 . . . . 201 . . . 5552 1 231 . 1 1 32 32 ALA HB1 H 1 1.45 0.00 . 1 . . . . 201 . . . 5552 1 232 . 1 1 32 32 ALA HB2 H 1 1.45 0.00 . 1 . . . . 201 . . . 5552 1 233 . 1 1 32 32 ALA HB3 H 1 1.45 0.00 . 1 . . . . 201 . . . 5552 1 234 . 1 1 32 32 ALA CA C 13 51.10 0.00 . 1 . . . . 201 . . . 5552 1 235 . 1 1 32 32 ALA CB C 13 23.90 0.00 . 1 . . . . 201 . . . 5552 1 236 . 1 1 32 32 ALA N N 15 128.22 0.00 . 1 . . . . 201 . . . 5552 1 237 . 1 1 33 33 VAL H H 1 9.03 0.00 . 1 . . . . 202 . . . 5552 1 238 . 1 1 33 33 VAL HA H 1 4.65 0.00 . 1 . . . . 202 . . . 5552 1 239 . 1 1 33 33 VAL HB H 1 1.13 0.00 . 1 . . . . 202 . . . 5552 1 240 . 1 1 33 33 VAL HG11 H 1 0.27 0.00 . 1 . . . . 202 . . . 5552 1 241 . 1 1 33 33 VAL HG12 H 1 0.27 0.00 . 1 . . . . 202 . . . 5552 1 242 . 1 1 33 33 VAL HG13 H 1 0.27 0.00 . 1 . . . . 202 . . . 5552 1 243 . 1 1 33 33 VAL HG21 H 1 0.60 0.00 . 1 . . . . 202 . . . 5552 1 244 . 1 1 33 33 VAL HG22 H 1 0.60 0.00 . 1 . . . . 202 . . . 5552 1 245 . 1 1 33 33 VAL HG23 H 1 0.60 0.00 . 1 . . . . 202 . . . 5552 1 246 . 1 1 33 33 VAL CA C 13 60.80 0.00 . 1 . . . . 202 . . . 5552 1 247 . 1 1 33 33 VAL CB C 13 34.92 0.00 . 1 . . . . 202 . . . 5552 1 248 . 1 1 33 33 VAL CG1 C 13 20.32 0.00 . 1 . . . . 202 . . . 5552 1 249 . 1 1 33 33 VAL CG2 C 13 18.94 0.00 . 1 . . . . 202 . . . 5552 1 250 . 1 1 33 33 VAL N N 15 121.76 0.00 . 1 . . . . 202 . . . 5552 1 251 . 1 1 34 34 LEU H H 1 9.49 0.00 . 1 . . . . 203 . . . 5552 1 252 . 1 1 34 34 LEU HA H 1 5.05 0.00 . 1 . . . . 203 . . . 5552 1 253 . 1 1 34 34 LEU HB2 H 1 1.91 0.00 . 1 . . . . 203 . . . 5552 1 254 . 1 1 34 34 LEU HB3 H 1 2.15 0.00 . 1 . . . . 203 . . . 5552 1 255 . 1 1 34 34 LEU HG H 1 0.93 0.00 . 1 . . . . 203 . . . 5552 1 256 . 1 1 34 34 LEU HD11 H 1 0.68 0.00 . 1 . . . . 203 . . . 5552 1 257 . 1 1 34 34 LEU HD12 H 1 0.68 0.00 . 1 . . . . 203 . . . 5552 1 258 . 1 1 34 34 LEU HD13 H 1 0.68 0.00 . 1 . . . . 203 . . . 5552 1 259 . 1 1 34 34 LEU HD21 H 1 1.11 0.00 . 1 . . . . 203 . . . 5552 1 260 . 1 1 34 34 LEU HD22 H 1 1.11 0.00 . 1 . . . . 203 . . . 5552 1 261 . 1 1 34 34 LEU HD23 H 1 1.11 0.00 . 1 . . . . 203 . . . 5552 1 262 . 1 1 34 34 LEU CA C 13 53.09 0.00 . 1 . . . . 203 . . . 5552 1 263 . 1 1 34 34 LEU CB C 13 43.73 0.00 . 1 . . . . 203 . . . 5552 1 264 . 1 1 34 34 LEU CG C 13 26.93 0.00 . 1 . . . . 203 . . . 5552 1 265 . 1 1 34 34 LEU CD1 C 13 24.18 0.00 . 1 . . . . 203 . . . 5552 1 266 . 1 1 34 34 LEU CD2 C 13 23.07 0.00 . 1 . . . . 203 . . . 5552 1 267 . 1 1 34 34 LEU N N 15 129.89 0.00 . 1 . . . . 203 . . . 5552 1 268 . 1 1 35 35 ASN H H 1 8.62 0.00 . 1 . . . . 204 . . . 5552 1 269 . 1 1 35 35 ASN HA H 1 3.75 0.00 . 1 . . . . 204 . . . 5552 1 270 . 1 1 35 35 ASN HB3 H 1 2.57 0.00 . 1 . . . . 204 . . . 5552 1 271 . 1 1 35 35 ASN HD22 H 1 3.08 0.00 . 1 . . . . 204 . . . 5552 1 272 . 1 1 35 35 ASN CA C 13 55.57 0.00 . 1 . . . . 204 . . . 5552 1 273 . 1 1 35 35 ASN CB C 13 38.22 0.00 . 1 . . . . 204 . . . 5552 1 274 . 1 1 35 35 ASN N N 15 125.72 0.00 . 1 . . . . 204 . . . 5552 1 275 . 1 1 36 36 VAL H H 1 8.52 0.00 . 1 . . . . 205 . . . 5552 1 276 . 1 1 36 36 VAL HA H 1 4.46 0.00 . 1 . . . . 205 . . . 5552 1 277 . 1 1 36 36 VAL HB H 1 1.98 0.00 . 1 . . . . 205 . . . 5552 1 278 . 1 1 36 36 VAL HG11 H 1 1.13 0.00 . 1 . . . . 205 . . . 5552 1 279 . 1 1 36 36 VAL HG12 H 1 1.13 0.00 . 1 . . . . 205 . . . 5552 1 280 . 1 1 36 36 VAL HG13 H 1 1.13 0.00 . 1 . . . . 205 . . . 5552 1 281 . 1 1 36 36 VAL HG21 H 1 0.66 0.00 . 1 . . . . 205 . . . 5552 1 282 . 1 1 36 36 VAL HG22 H 1 0.66 0.00 . 1 . . . . 205 . . . 5552 1 283 . 1 1 36 36 VAL HG23 H 1 0.66 0.00 . 1 . . . . 205 . . . 5552 1 284 . 1 1 36 36 VAL CA C 13 59.42 0.00 . 1 . . . . 205 . . . 5552 1 285 . 1 1 36 36 VAL CB C 13 28.31 0.00 . 1 . . . . 205 . . . 5552 1 286 . 1 1 36 36 VAL CG1 C 13 20.87 0.00 . 1 . . . . 205 . . . 5552 1 287 . 1 1 36 36 VAL CG2 C 13 23.07 0.00 . 1 . . . . 205 . . . 5552 1 288 . 1 1 36 36 VAL N N 15 128.64 0.00 . 1 . . . . 205 . . . 5552 1 289 . 1 1 37 37 SER H H 1 7.27 0.00 . 1 . . . . 206 . . . 5552 1 290 . 1 1 37 37 SER HA H 1 4.99 0.00 . 1 . . . . 206 . . . 5552 1 291 . 1 1 37 37 SER HB2 H 1 3.74 0.00 . 1 . . . . 206 . . . 5552 1 292 . 1 1 37 37 SER HB3 H 1 3.88 0.00 . 1 . . . . 206 . . . 5552 1 293 . 1 1 37 37 SER CA C 13 57.89 0.00 . 1 . . . . 206 . . . 5552 1 294 . 1 1 37 37 SER N N 15 112.36 0.00 . 1 . . . . 206 . . . 5552 1 295 . 1 1 38 38 ALA H H 1 7.51 0.00 . 1 . . . . 207 . . . 5552 1 296 . 1 1 38 38 ALA HA H 1 4.28 0.00 . 1 . . . . 207 . . . 5552 1 297 . 1 1 38 38 ALA HB1 H 1 1.17 0.00 . 1 . . . . 207 . . . 5552 1 298 . 1 1 38 38 ALA HB2 H 1 1.17 0.00 . 1 . . . . 207 . . . 5552 1 299 . 1 1 38 38 ALA HB3 H 1 1.17 0.00 . 1 . . . . 207 . . . 5552 1 300 . 1 1 38 38 ALA CA C 13 52.00 0.00 . 1 . . . . 207 . . . 5552 1 301 . 1 1 38 38 ALA CB C 13 18.67 0.00 . 1 . . . . 207 . . . 5552 1 302 . 1 1 38 38 ALA N N 15 121.34 0.00 . 1 . . . . 207 . . . 5552 1 303 . 1 1 39 39 SER HA H 1 4.28 0.00 . 1 . . . . 208 . . . 5552 1 304 . 1 1 39 39 SER HB2 H 1 3.65 0.00 . 1 . . . . 208 . . . 5552 1 305 . 1 1 39 39 SER HB3 H 1 3.88 0.00 . 1 . . . . 208 . . . 5552 1 306 . 1 1 39 39 SER CA C 13 57.88 0.00 . 1 . . . . 208 . . . 5552 1 307 . 1 1 39 39 SER CB C 13 64.69 0.00 . 1 . . . . 208 . . . 5552 1 308 . 1 1 40 40 CYS H H 1 8.12 0.00 . 1 . . . . 209 . . . 5552 1 309 . 1 1 40 40 CYS HA H 1 4.55 0.00 . 1 . . . . 209 . . . 5552 1 310 . 1 1 40 40 CYS HB3 H 1 2.87 0.00 . 1 . . . . 209 . . . 5552 1 311 . 1 1 40 40 CYS CA C 13 57.97 0.00 . 1 . . . . 209 . . . 5552 1 312 . 1 1 40 40 CYS CB C 13 26.54 0.00 . 1 . . . . 209 . . . 5552 1 313 . 1 1 40 40 CYS N N 15 123.85 0.00 . 1 . . . . 209 . . . 5552 1 314 . 1 1 41 41 PRO HA H 1 4.25 0.00 . 1 . . . . 210 . . . 5552 1 315 . 1 1 41 41 PRO HB3 H 1 2.33 0.00 . 1 . . . . 210 . . . 5552 1 316 . 1 1 41 41 PRO HG3 H 1 0.96 0.00 . 1 . . . . 210 . . . 5552 1 317 . 1 1 41 41 PRO CA C 13 61.81 0.00 . 1 . . . . 210 . . . 5552 1 318 . 1 1 41 41 PRO CB C 13 31.61 0.00 . 1 . . . . 210 . . . 5552 1 319 . 1 1 42 42 ASN H H 1 8.42 0.00 . 1 . . . . 211 . . . 5552 1 320 . 1 1 42 42 ASN CA C 13 50.63 0.00 . 1 . . . . 211 . . . 5552 1 321 . 1 1 42 42 ASN CB C 13 36.00 0.00 . 1 . . . . 211 . . . 5552 1 322 . 1 1 42 42 ASN N N 15 120.51 0.00 . 1 . . . . 211 . . . 5552 1 323 . 1 1 43 43 HIS H H 1 7.31 0.00 . 1 . . . . 212 . . . 5552 1 324 . 1 1 43 43 HIS HA H 1 4.79 0.00 . 1 . . . . 212 . . . 5552 1 325 . 1 1 43 43 HIS HB3 H 1 3.76 0.00 . 1 . . . . 212 . . . 5552 1 326 . 1 1 43 43 HIS CA C 13 59.96 0.00 . 1 . . . . 212 . . . 5552 1 327 . 1 1 43 43 HIS CB C 13 30.30 0.00 . 1 . . . . 212 . . . 5552 1 328 . 1 1 43 43 HIS N N 15 120.51 0.00 . 1 . . . . 212 . . . 5552 1 329 . 1 1 44 44 PHE H H 1 7.91 0.00 . 1 . . . . 213 . . . 5552 1 330 . 1 1 44 44 PHE HA H 1 5.46 0.00 . 1 . . . . 213 . . . 5552 1 331 . 1 1 44 44 PHE HB3 H 1 3.47 0.00 . 1 . . . . 213 . . . 5552 1 332 . 1 1 44 44 PHE HD1 H 1 7.29 0.00 . 3 . . . . 213 . . . 5552 1 333 . 1 1 44 44 PHE HE1 H 1 7.15 0.00 . 3 . . . . 213 . . . 5552 1 334 . 1 1 44 44 PHE CA C 13 54.47 0.00 . 1 . . . . 213 . . . 5552 1 335 . 1 1 44 44 PHE CB C 13 39.33 0.00 . 1 . . . . 213 . . . 5552 1 336 . 1 1 44 44 PHE N N 15 116.13 0.00 . 1 . . . . 213 . . . 5552 1 337 . 1 1 45 45 GLU H H 1 8.13 0.00 . 1 . . . . 214 . . . 5552 1 338 . 1 1 45 45 GLU HA H 1 4.29 0.00 . 1 . . . . 214 . . . 5552 1 339 . 1 1 45 45 GLU HB2 H 1 1.88 0.00 . 1 . . . . 214 . . . 5552 1 340 . 1 1 45 45 GLU HB3 H 1 2.04 0.00 . 1 . . . . 214 . . . 5552 1 341 . 1 1 45 45 GLU HG3 H 1 2.36 0.00 . 1 . . . . 214 . . . 5552 1 342 . 1 1 45 45 GLU CA C 13 59.27 0.00 . 1 . . . . 214 . . . 5552 1 343 . 1 1 45 45 GLU CB C 13 29.13 0.00 . 1 . . . . 214 . . . 5552 1 344 . 1 1 45 45 GLU N N 15 122.56 0.00 . 1 . . . . 214 . . . 5552 1 345 . 1 1 46 46 GLY H H 1 9.04 0.00 . 1 . . . . 215 . . . 5552 1 346 . 1 1 46 46 GLY HA2 H 1 4.28 0.00 . 1 . . . . 215 . . . 5552 1 347 . 1 1 46 46 GLY HA3 H 1 4.80 0.00 . 1 . . . . 215 . . . 5552 1 348 . 1 1 46 46 GLY CA C 13 44.98 0.00 . 1 . . . . 215 . . . 5552 1 349 . 1 1 46 46 GLY N N 15 111.12 0.00 . 1 . . . . 215 . . . 5552 1 350 . 1 1 47 47 LEU H H 1 7.97 0.00 . 1 . . . . 216 . . . 5552 1 351 . 1 1 47 47 LEU HA H 1 4.32 0.00 . 1 . . . . 216 . . . 5552 1 352 . 1 1 47 47 LEU HB2 H 1 0.82 0.00 . 1 . . . . 216 . . . 5552 1 353 . 1 1 47 47 LEU HB3 H 1 1.45 0.00 . 1 . . . . 216 . . . 5552 1 354 . 1 1 47 47 LEU HG H 1 1.35 0.00 . 1 . . . . 216 . . . 5552 1 355 . 1 1 47 47 LEU HD11 H 1 0.77 0.00 . 1 . . . . 216 . . . 5552 1 356 . 1 1 47 47 LEU HD12 H 1 0.77 0.00 . 1 . . . . 216 . . . 5552 1 357 . 1 1 47 47 LEU HD13 H 1 0.77 0.00 . 1 . . . . 216 . . . 5552 1 358 . 1 1 47 47 LEU HD21 H 1 0.66 0.00 . 1 . . . . 216 . . . 5552 1 359 . 1 1 47 47 LEU HD22 H 1 0.66 0.00 . 1 . . . . 216 . . . 5552 1 360 . 1 1 47 47 LEU HD23 H 1 0.66 0.00 . 1 . . . . 216 . . . 5552 1 361 . 1 1 47 47 LEU CA C 13 55.84 0.00 . 1 . . . . 216 . . . 5552 1 362 . 1 1 47 47 LEU CB C 13 43.18 0.00 . 1 . . . . 216 . . . 5552 1 363 . 1 1 47 47 LEU CG C 13 27.20 0.00 . 1 . . . . 216 . . . 5552 1 364 . 1 1 47 47 LEU CD2 C 13 23.07 0.00 . 1 . . . . 216 . . . 5552 1 365 . 1 1 47 47 LEU N N 15 120.30 0.00 . 1 . . . . 216 . . . 5552 1 366 . 1 1 48 48 PHE H H 1 7.39 0.00 . 1 . . . . 217 . . . 5552 1 367 . 1 1 48 48 PHE HA H 1 4.89 0.00 . 1 . . . . 217 . . . 5552 1 368 . 1 1 48 48 PHE HB2 H 1 2.43 0.00 . 1 . . . . 217 . . . 5552 1 369 . 1 1 48 48 PHE HB3 H 1 2.61 0.00 . 1 . . . . 217 . . . 5552 1 370 . 1 1 48 48 PHE HD1 H 1 7.16 0.00 . 3 . . . . 217 . . . 5552 1 371 . 1 1 48 48 PHE HE1 H 1 7.28 0.00 . 3 . . . . 217 . . . 5552 1 372 . 1 1 48 48 PHE CA C 13 54.47 0.00 . 1 . . . . 217 . . . 5552 1 373 . 1 1 48 48 PHE CB C 13 42.35 0.00 . 1 . . . . 217 . . . 5552 1 374 . 1 1 48 48 PHE N N 15 114.25 0.00 . 1 . . . . 217 . . . 5552 1 375 . 1 1 49 49 ARG H H 1 7.93 0.00 . 1 . . . . 218 . . . 5552 1 376 . 1 1 49 49 ARG HA H 1 4.83 0.00 . 1 . . . . 218 . . . 5552 1 377 . 1 1 49 49 ARG HB3 H 1 2.14 0.00 . 1 . . . . 218 . . . 5552 1 378 . 1 1 49 49 ARG HG3 H 1 1.92 0.00 . 1 . . . . 218 . . . 5552 1 379 . 1 1 49 49 ARG HD3 H 1 3.31 0.00 . 1 . . . . 218 . . . 5552 1 380 . 1 1 49 49 ARG CA C 13 55.50 0.00 . 1 . . . . 218 . . . 5552 1 381 . 1 1 49 49 ARG CB C 13 29.87 0.00 . 1 . . . . 218 . . . 5552 1 382 . 1 1 49 49 ARG CG C 13 27.20 0.00 . 1 . . . . 218 . . . 5552 1 383 . 1 1 49 49 ARG CD C 13 42.90 0.00 . 1 . . . . 218 . . . 5552 1 384 . 1 1 49 49 ARG N N 15 120.92 0.00 . 1 . . . . 218 . . . 5552 1 385 . 1 1 50 50 TYR H H 1 9.27 0.00 . 1 . . . . 219 . . . 5552 1 386 . 1 1 50 50 TYR HA H 1 5.60 0.00 . 1 . . . . 219 . . . 5552 1 387 . 1 1 50 50 TYR HB2 H 1 2.71 0.00 . 1 . . . . 219 . . . 5552 1 388 . 1 1 50 50 TYR HB3 H 1 3.00 0.00 . 1 . . . . 219 . . . 5552 1 389 . 1 1 50 50 TYR HD1 H 1 7.19 0.00 . 3 . . . . 219 . . . 5552 1 390 . 1 1 50 50 TYR HE1 H 1 7.09 0.00 . 3 . . . . 219 . . . 5552 1 391 . 1 1 50 50 TYR CA C 13 57.77 0.00 . 1 . . . . 219 . . . 5552 1 392 . 1 1 50 50 TYR CB C 13 42.63 0.00 . 1 . . . . 219 . . . 5552 1 393 . 1 1 50 50 TYR N N 15 126.55 0.00 . 1 . . . . 219 . . . 5552 1 394 . 1 1 51 51 LYS H H 1 8.63 0.00 . 1 . . . . 220 . . . 5552 1 395 . 1 1 51 51 LYS HA H 1 4.35 0.00 . 1 . . . . 220 . . . 5552 1 396 . 1 1 51 51 LYS HB3 H 1 1.88 0.00 . 1 . . . . 220 . . . 5552 1 397 . 1 1 51 51 LYS HG3 H 1 1.46 0.00 . 1 . . . . 220 . . . 5552 1 398 . 1 1 51 51 LYS HD3 H 1 1.68 0.00 . 1 . . . . 220 . . . 5552 1 399 . 1 1 51 51 LYS HE3 H 1 3.08 0.00 . 1 . . . . 220 . . . 5552 1 400 . 1 1 51 51 LYS CA C 13 54.92 0.00 . 1 . . . . 220 . . . 5552 1 401 . 1 1 51 51 LYS CB C 13 32.44 0.00 . 1 . . . . 220 . . . 5552 1 402 . 1 1 51 51 LYS CG C 13 25.28 0.00 . 1 . . . . 220 . . . 5552 1 403 . 1 1 51 51 LYS CE C 13 42.00 0.00 . 1 . . . . 220 . . . 5552 1 404 . 1 1 51 51 LYS N N 15 122.17 0.00 . 1 . . . . 220 . . . 5552 1 405 . 1 1 52 52 SER H H 1 8.62 0.00 . 1 . . . . 221 . . . 5552 1 406 . 1 1 52 52 SER HA H 1 5.28 0.00 . 1 . . . . 221 . . . 5552 1 407 . 1 1 52 52 SER HB2 H 1 3.71 0.00 . 1 . . . . 221 . . . 5552 1 408 . 1 1 52 52 SER HB3 H 1 3.74 0.00 . 1 . . . . 221 . . . 5552 1 409 . 1 1 52 52 SER CA C 13 56.69 0.00 . 1 . . . . 221 . . . 5552 1 410 . 1 1 52 52 SER CB C 13 63.92 0.00 . 1 . . . . 221 . . . 5552 1 411 . 1 1 52 52 SER N N 15 121.97 0.00 . 1 . . . . 221 . . . 5552 1 412 . 1 1 53 53 ILE H H 1 8.39 0.00 . 1 . . . . 222 . . . 5552 1 413 . 1 1 53 53 ILE HA H 1 3.85 0.00 . 1 . . . . 222 . . . 5552 1 414 . 1 1 53 53 ILE HB H 1 1.70 0.00 . 1 . . . . 222 . . . 5552 1 415 . 1 1 53 53 ILE HG12 H 1 1.10 0.00 . 1 . . . . 222 . . . 5552 1 416 . 1 1 53 53 ILE HG13 H 1 1.12 0.00 . 1 . . . . 222 . . . 5552 1 417 . 1 1 53 53 ILE HG21 H 1 -0.05 0.00 . 1 . . . . 222 . . . 5552 1 418 . 1 1 53 53 ILE HG22 H 1 -0.05 0.00 . 1 . . . . 222 . . . 5552 1 419 . 1 1 53 53 ILE HG23 H 1 -0.05 0.00 . 1 . . . . 222 . . . 5552 1 420 . 1 1 53 53 ILE HD11 H 1 0.84 0.00 . 1 . . . . 222 . . . 5552 1 421 . 1 1 53 53 ILE HD12 H 1 0.84 0.00 . 1 . . . . 222 . . . 5552 1 422 . 1 1 53 53 ILE HD13 H 1 0.84 0.00 . 1 . . . . 222 . . . 5552 1 423 . 1 1 53 53 ILE CA C 13 56.67 0.00 . 1 . . . . 222 . . . 5552 1 424 . 1 1 53 53 ILE CB C 13 37.67 0.00 . 1 . . . . 222 . . . 5552 1 425 . 1 1 53 53 ILE CG2 C 13 15.59 0.00 . 1 . . . . 222 . . . 5552 1 426 . 1 1 53 53 ILE CD1 C 13 12.33 0.00 . 1 . . . . 222 . . . 5552 1 427 . 1 1 53 53 ILE N N 15 125.11 0.00 . 1 . . . . 222 . . . 5552 1 428 . 1 1 54 54 PRO HA H 1 4.26 0.00 . 1 . . . . 223 . . . 5552 1 429 . 1 1 54 54 PRO HB3 H 1 2.33 0.00 . 1 . . . . 223 . . . 5552 1 430 . 1 1 54 54 PRO HG3 H 1 0.97 0.00 . 1 . . . . 223 . . . 5552 1 431 . 1 1 54 54 PRO CA C 13 61.35 0.00 . 1 . . . . 223 . . . 5552 1 432 . 1 1 54 54 PRO CB C 13 30.51 0.00 . 1 . . . . 223 . . . 5552 1 433 . 1 1 55 55 VAL H H 1 7.61 0.00 . 1 . . . . 224 . . . 5552 1 434 . 1 1 55 55 VAL HA H 1 4.75 0.00 . 1 . . . . 224 . . . 5552 1 435 . 1 1 55 55 VAL HB H 1 2.21 0.00 . 1 . . . . 224 . . . 5552 1 436 . 1 1 55 55 VAL HG11 H 1 1.23 0.00 . 1 . . . . 224 . . . 5552 1 437 . 1 1 55 55 VAL HG12 H 1 1.23 0.00 . 1 . . . . 224 . . . 5552 1 438 . 1 1 55 55 VAL HG13 H 1 1.23 0.00 . 1 . . . . 224 . . . 5552 1 439 . 1 1 55 55 VAL HG21 H 1 0.41 0.00 . 1 . . . . 224 . . . 5552 1 440 . 1 1 55 55 VAL HG22 H 1 0.41 0.00 . 1 . . . . 224 . . . 5552 1 441 . 1 1 55 55 VAL HG23 H 1 0.41 0.00 . 1 . . . . 224 . . . 5552 1 442 . 1 1 55 55 VAL CA C 13 58.05 0.00 . 1 . . . . 224 . . . 5552 1 443 . 1 1 55 55 VAL CB C 13 34.92 0.00 . 1 . . . . 224 . . . 5552 1 444 . 1 1 55 55 VAL CG1 C 13 22.80 0.00 . 1 . . . . 224 . . . 5552 1 445 . 1 1 55 55 VAL CG2 C 13 17.57 0.00 . 1 . . . . 224 . . . 5552 1 446 . 1 1 55 55 VAL N N 15 116.96 0.00 . 1 . . . . 224 . . . 5552 1 447 . 1 1 56 56 GLU H H 1 8.05 0.00 . 1 . . . . 225 . . . 5552 1 448 . 1 1 56 56 GLU HA H 1 4.62 0.00 . 1 . . . . 225 . . . 5552 1 449 . 1 1 56 56 GLU HB2 H 1 1.73 0.00 . 1 . . . . 225 . . . 5552 1 450 . 1 1 56 56 GLU HB3 H 1 2.08 0.00 . 1 . . . . 225 . . . 5552 1 451 . 1 1 56 56 GLU HG2 H 1 2.20 0.00 . 1 . . . . 225 . . . 5552 1 452 . 1 1 56 56 GLU HG3 H 1 2.35 0.00 . 1 . . . . 225 . . . 5552 1 453 . 1 1 56 56 GLU CA C 13 54.99 0.00 . 1 . . . . 225 . . . 5552 1 454 . 1 1 56 56 GLU CB C 13 30.45 0.00 . 1 . . . . 225 . . . 5552 1 455 . 1 1 56 56 GLU N N 15 121.39 0.00 . 1 . . . . 225 . . . 5552 1 456 . 1 1 57 57 ASP H H 1 9.09 0.00 . 1 . . . . 226 . . . 5552 1 457 . 1 1 57 57 ASP HA H 1 4.99 0.00 . 1 . . . . 226 . . . 5552 1 458 . 1 1 57 57 ASP HB2 H 1 2.84 0.00 . 1 . . . . 226 . . . 5552 1 459 . 1 1 57 57 ASP HB3 H 1 3.07 0.00 . 1 . . . . 226 . . . 5552 1 460 . 1 1 57 57 ASP CA C 13 51.66 0.00 . 1 . . . . 226 . . . 5552 1 461 . 1 1 57 57 ASP CB C 13 39.26 0.00 . 1 . . . . 226 . . . 5552 1 462 . 1 1 57 57 ASP N N 15 120.25 0.00 . 1 . . . . 226 . . . 5552 1 463 . 1 1 58 58 ASN H H 1 7.15 0.00 . 1 . . . . 227 . . . 5552 1 464 . 1 1 58 58 ASN HA H 1 4.15 0.00 . 1 . . . . 227 . . . 5552 1 465 . 1 1 58 58 ASN HB2 H 1 2.72 0.00 . 1 . . . . 227 . . . 5552 1 466 . 1 1 58 58 ASN HB3 H 1 3.12 0.00 . 1 . . . . 227 . . . 5552 1 467 . 1 1 58 58 ASN CA C 13 51.63 0.00 . 1 . . . . 227 . . . 5552 1 468 . 1 1 58 58 ASN CB C 13 42.08 0.00 . 1 . . . . 227 . . . 5552 1 469 . 1 1 58 58 ASN N N 15 117.17 0.00 . 1 . . . . 227 . . . 5552 1 470 . 1 1 60 60 MET HA H 1 4.61 0.00 . 1 . . . . 229 . . . 5552 1 471 . 1 1 60 60 MET CA C 13 54.71 0.00 . 1 . . . . 229 . . . 5552 1 472 . 1 1 60 60 MET CB C 13 31.09 0.00 . 1 . . . . 229 . . . 5552 1 473 . 1 1 61 61 VAL H H 1 7.57 0.00 . 1 . . . . 230 . . . 5552 1 474 . 1 1 61 61 VAL HA H 1 4.00 0.00 . 1 . . . . 230 . . . 5552 1 475 . 1 1 61 61 VAL HB H 1 2.61 0.00 . 1 . . . . 230 . . . 5552 1 476 . 1 1 61 61 VAL HG11 H 1 1.21 0.00 . 1 . . . . 230 . . . 5552 1 477 . 1 1 61 61 VAL HG12 H 1 1.21 0.00 . 1 . . . . 230 . . . 5552 1 478 . 1 1 61 61 VAL HG13 H 1 1.21 0.00 . 1 . . . . 230 . . . 5552 1 479 . 1 1 61 61 VAL HG21 H 1 0.39 0.00 . 1 . . . . 230 . . . 5552 1 480 . 1 1 61 61 VAL HG22 H 1 0.39 0.00 . 1 . . . . 230 . . . 5552 1 481 . 1 1 61 61 VAL HG23 H 1 0.39 0.00 . 1 . . . . 230 . . . 5552 1 482 . 1 1 61 61 VAL CA C 13 62.65 0.00 . 1 . . . . 230 . . . 5552 1 483 . 1 1 61 61 VAL CB C 13 32.99 0.00 . 1 . . . . 230 . . . 5552 1 484 . 1 1 61 61 VAL CG1 C 13 19.72 0.00 . 1 . . . . 230 . . . 5552 1 485 . 1 1 61 61 VAL N N 15 121.97 0.00 . 1 . . . . 230 . . . 5552 1 486 . 1 1 62 62 GLU H H 1 9.13 0.00 . 1 . . . . 231 . . . 5552 1 487 . 1 1 62 62 GLU HA H 1 4.67 0.00 . 1 . . . . 231 . . . 5552 1 488 . 1 1 62 62 GLU HB3 H 1 1.92 0.00 . 1 . . . . 231 . . . 5552 1 489 . 1 1 62 62 GLU HG3 H 1 2.15 0.00 . 1 . . . . 231 . . . 5552 1 490 . 1 1 62 62 GLU CA C 13 53.92 0.00 . 1 . . . . 231 . . . 5552 1 491 . 1 1 62 62 GLU CB C 13 27.20 0.00 . 1 . . . . 231 . . . 5552 1 492 . 1 1 62 62 GLU CG C 13 36.02 0.00 . 1 . . . . 231 . . . 5552 1 493 . 1 1 62 62 GLU N N 15 132.13 0.00 . 1 . . . . 231 . . . 5552 1 494 . 1 1 63 63 ILE H H 1 7.89 0.00 . 1 . . . . 232 . . . 5552 1 495 . 1 1 63 63 ILE HA H 1 3.98 0.00 . 1 . . . . 232 . . . 5552 1 496 . 1 1 63 63 ILE HB H 1 1.17 0.00 . 1 . . . . 232 . . . 5552 1 497 . 1 1 63 63 ILE HG12 H 1 1.21 0.00 . 1 . . . . 232 . . . 5552 1 498 . 1 1 63 63 ILE HG13 H 1 1.14 0.00 . 1 . . . . 232 . . . 5552 1 499 . 1 1 63 63 ILE HG21 H 1 0.25 0.00 . 1 . . . . 232 . . . 5552 1 500 . 1 1 63 63 ILE HG22 H 1 0.25 0.00 . 1 . . . . 232 . . . 5552 1 501 . 1 1 63 63 ILE HG23 H 1 0.25 0.00 . 1 . . . . 232 . . . 5552 1 502 . 1 1 63 63 ILE HD11 H 1 0.40 0.00 . 1 . . . . 232 . . . 5552 1 503 . 1 1 63 63 ILE HD12 H 1 0.40 0.00 . 1 . . . . 232 . . . 5552 1 504 . 1 1 63 63 ILE HD13 H 1 0.40 0.00 . 1 . . . . 232 . . . 5552 1 505 . 1 1 63 63 ILE CA C 13 63.83 0.00 . 1 . . . . 232 . . . 5552 1 506 . 1 1 63 63 ILE CB C 13 30.23 0.00 . 1 . . . . 232 . . . 5552 1 507 . 1 1 63 63 ILE CG1 C 13 39.05 0.00 . 1 . . . . 232 . . . 5552 1 508 . 1 1 63 63 ILE CG2 C 13 16.00 0.00 . 1 . . . . 232 . . . 5552 1 509 . 1 1 63 63 ILE CD1 C 13 13.99 0.00 . 1 . . . . 232 . . . 5552 1 510 . 1 1 63 63 ILE N N 15 128.43 0.00 . 1 . . . . 232 . . . 5552 1 511 . 1 1 64 64 SER H H 1 7.95 0.00 . 1 . . . . 233 . . . 5552 1 512 . 1 1 64 64 SER HA H 1 4.69 0.00 . 1 . . . . 233 . . . 5552 1 513 . 1 1 64 64 SER HB3 H 1 3.50 0.00 . 1 . . . . 233 . . . 5552 1 514 . 1 1 64 64 SER CA C 13 60.25 0.00 . 1 . . . . 233 . . . 5552 1 515 . 1 1 64 64 SER CB C 13 62.71 0.00 . 1 . . . . 233 . . . 5552 1 516 . 1 1 64 64 SER N N 15 115.59 0.00 . 1 . . . . 233 . . . 5552 1 517 . 1 1 65 65 ALA H H 1 7.29 0.00 . 1 . . . . 234 . . . 5552 1 518 . 1 1 65 65 ALA HA H 1 4.02 0.00 . 1 . . . . 234 . . . 5552 1 519 . 1 1 65 65 ALA HB1 H 1 1.13 0.00 . 1 . . . . 234 . . . 5552 1 520 . 1 1 65 65 ALA HB2 H 1 1.13 0.00 . 1 . . . . 234 . . . 5552 1 521 . 1 1 65 65 ALA HB3 H 1 1.13 0.00 . 1 . . . . 234 . . . 5552 1 522 . 1 1 65 65 ALA CA C 13 53.60 0.00 . 1 . . . . 234 . . . 5552 1 523 . 1 1 65 65 ALA CB C 13 17.57 0.00 . 1 . . . . 234 . . . 5552 1 524 . 1 1 65 65 ALA N N 15 126.10 0.00 . 1 . . . . 234 . . . 5552 1 525 . 1 1 66 66 TRP H H 1 7.93 0.00 . 1 . . . . 235 . . . 5552 1 526 . 1 1 66 66 TRP HA H 1 4.61 0.00 . 1 . . . . 235 . . . 5552 1 527 . 1 1 66 66 TRP HB3 H 1 3.00 0.00 . 1 . . . . 235 . . . 5552 1 528 . 1 1 66 66 TRP HE1 H 1 10.13 0.00 . 1 . . . . 235 . . . 5552 1 529 . 1 1 66 66 TRP HZ2 H 1 7.47 0.00 . 1 . . . . 235 . . . 5552 1 530 . 1 1 66 66 TRP CA C 13 57.15 0.00 . 1 . . . . 235 . . . 5552 1 531 . 1 1 66 66 TRP CB C 13 30.04 0.00 . 1 . . . . 235 . . . 5552 1 532 . 1 1 66 66 TRP N N 15 116.16 0.00 . 1 . . . . 235 . . . 5552 1 533 . 1 1 66 66 TRP NE1 N 15 129.52 0.00 . 1 . . . . 235 . . . 5552 1 534 . 1 1 67 67 PHE H H 1 7.39 0.00 . 1 . . . . 236 . . . 5552 1 535 . 1 1 67 67 PHE HA H 1 4.38 0.00 . 1 . . . . 236 . . . 5552 1 536 . 1 1 67 67 PHE HB2 H 1 2.71 0.00 . 1 . . . . 236 . . . 5552 1 537 . 1 1 67 67 PHE HB3 H 1 3.14 0.00 . 1 . . . . 236 . . . 5552 1 538 . 1 1 67 67 PHE HD1 H 1 6.34 0.00 . 3 . . . . 236 . . . 5552 1 539 . 1 1 67 67 PHE HE1 H 1 6.65 0.00 . 3 . . . . 236 . . . 5552 1 540 . 1 1 67 67 PHE CA C 13 57.69 0.00 . 1 . . . . 236 . . . 5552 1 541 . 1 1 67 67 PHE CB C 13 36.02 0.00 . 1 . . . . 236 . . . 5552 1 542 . 1 1 67 67 PHE N N 15 118.61 0.00 . 1 . . . . 236 . . . 5552 1 543 . 1 1 68 68 GLN H H 1 8.96 0.00 . 1 . . . . 237 . . . 5552 1 544 . 1 1 68 68 GLN HA H 1 4.34 0.00 . 1 . . . . 237 . . . 5552 1 545 . 1 1 68 68 GLN CA C 13 59.15 0.00 . 1 . . . . 237 . . . 5552 1 546 . 1 1 68 68 GLN CB C 13 26.53 0.00 . 1 . . . . 237 . . . 5552 1 547 . 1 1 68 68 GLN N N 15 118.00 0.00 . 1 . . . . 237 . . . 5552 1 548 . 1 1 69 69 GLU H H 1 8.81 0.00 . 1 . . . . 238 . . . 5552 1 549 . 1 1 69 69 GLU HA H 1 4.20 0.00 . 1 . . . . 238 . . . 5552 1 550 . 1 1 69 69 GLU HB2 H 1 1.98 0.00 . 1 . . . . 238 . . . 5552 1 551 . 1 1 69 69 GLU HB3 H 1 2.12 0.00 . 1 . . . . 238 . . . 5552 1 552 . 1 1 69 69 GLU HG2 H 1 2.35 0.00 . 1 . . . . 238 . . . 5552 1 553 . 1 1 69 69 GLU HG3 H 1 2.59 0.00 . 1 . . . . 238 . . . 5552 1 554 . 1 1 69 69 GLU CA C 13 58.72 0.00 . 1 . . . . 238 . . . 5552 1 555 . 1 1 69 69 GLU CB C 13 29.43 0.00 . 1 . . . . 238 . . . 5552 1 556 . 1 1 69 69 GLU N N 15 122.57 0.00 . 1 . . . . 238 . . . 5552 1 557 . 1 1 70 70 ALA H H 1 8.54 0.00 . 1 . . . . 239 . . . 5552 1 558 . 1 1 70 70 ALA HA H 1 4.06 0.00 . 1 . . . . 239 . . . 5552 1 559 . 1 1 70 70 ALA HB1 H 1 1.62 0.00 . 1 . . . . 239 . . . 5552 1 560 . 1 1 70 70 ALA HB2 H 1 1.62 0.00 . 1 . . . . 239 . . . 5552 1 561 . 1 1 70 70 ALA HB3 H 1 1.62 0.00 . 1 . . . . 239 . . . 5552 1 562 . 1 1 70 70 ALA CA C 13 55.27 0.00 . 1 . . . . 239 . . . 5552 1 563 . 1 1 70 70 ALA CB C 13 19.50 0.00 . 1 . . . . 239 . . . 5552 1 564 . 1 1 70 70 ALA N N 15 121.97 0.00 . 1 . . . . 239 . . . 5552 1 565 . 1 1 71 71 ILE H H 1 9.05 0.00 . 1 . . . . 240 . . . 5552 1 566 . 1 1 71 71 ILE HA H 1 3.81 0.00 . 1 . . . . 240 . . . 5552 1 567 . 1 1 71 71 ILE HB H 1 2.06 0.00 . 1 . . . . 240 . . . 5552 1 568 . 1 1 71 71 ILE HG12 H 1 1.11 0.00 . 1 . . . . 240 . . . 5552 1 569 . 1 1 71 71 ILE HG13 H 1 1.15 0.00 . 1 . . . . 240 . . . 5552 1 570 . 1 1 71 71 ILE HG21 H 1 1.13 0.00 . 1 . . . . 240 . . . 5552 1 571 . 1 1 71 71 ILE HG22 H 1 1.13 0.00 . 1 . . . . 240 . . . 5552 1 572 . 1 1 71 71 ILE HG23 H 1 1.13 0.00 . 1 . . . . 240 . . . 5552 1 573 . 1 1 71 71 ILE HD11 H 1 0.82 0.00 . 1 . . . . 240 . . . 5552 1 574 . 1 1 71 71 ILE HD12 H 1 0.82 0.00 . 1 . . . . 240 . . . 5552 1 575 . 1 1 71 71 ILE HD13 H 1 0.82 0.00 . 1 . . . . 240 . . . 5552 1 576 . 1 1 71 71 ILE CA C 13 66.03 0.00 . 1 . . . . 240 . . . 5552 1 577 . 1 1 71 71 ILE CB C 13 38.50 0.00 . 1 . . . . 240 . . . 5552 1 578 . 1 1 71 71 ILE CG1 C 13 30.23 0.00 . 1 . . . . 240 . . . 5552 1 579 . 1 1 71 71 ILE CG2 C 13 16.54 0.00 . 1 . . . . 240 . . . 5552 1 580 . 1 1 71 71 ILE CD1 C 13 14.26 0.00 . 1 . . . . 240 . . . 5552 1 581 . 1 1 71 71 ILE N N 15 119.05 0.00 . 1 . . . . 240 . . . 5552 1 582 . 1 1 72 72 GLY H H 1 8.55 0.00 . 1 . . . . 241 . . . 5552 1 583 . 1 1 72 72 GLY HA2 H 1 3.75 0.00 . 1 . . . . 241 . . . 5552 1 584 . 1 1 72 72 GLY HA3 H 1 4.09 0.00 . 1 . . . . 241 . . . 5552 1 585 . 1 1 72 72 GLY CA C 13 46.58 0.00 . 1 . . . . 241 . . . 5552 1 586 . 1 1 72 72 GLY N N 15 131.97 0.00 . 1 . . . . 241 . . . 5552 1 587 . 1 1 73 73 PHE H H 1 7.87 0.00 . 1 . . . . 242 . . . 5552 1 588 . 1 1 73 73 PHE HA H 1 4.71 0.00 . 1 . . . . 242 . . . 5552 1 589 . 1 1 73 73 PHE HB2 H 1 3.25 0.00 . 1 . . . . 242 . . . 5552 1 590 . 1 1 73 73 PHE HB3 H 1 3.59 0.00 . 1 . . . . 242 . . . 5552 1 591 . 1 1 73 73 PHE HD1 H 1 7.19 0.00 . 3 . . . . 242 . . . 5552 1 592 . 1 1 73 73 PHE CA C 13 61.29 0.00 . 1 . . . . 242 . . . 5552 1 593 . 1 1 73 73 PHE CB C 13 39.38 0.00 . 1 . . . . 242 . . . 5552 1 594 . 1 1 73 73 PHE N N 15 123.42 0.00 . 1 . . . . 242 . . . 5552 1 595 . 1 1 74 74 ILE H H 1 8.36 0.00 . 1 . . . . 243 . . . 5552 1 596 . 1 1 74 74 ILE HA H 1 3.31 0.00 . 1 . . . . 243 . . . 5552 1 597 . 1 1 74 74 ILE HB H 1 1.74 0.00 . 1 . . . . 243 . . . 5552 1 598 . 1 1 74 74 ILE HG12 H 1 0.71 0.00 . 1 . . . . 243 . . . 5552 1 599 . 1 1 74 74 ILE HG13 H 1 2.07 0.00 . 1 . . . . 243 . . . 5552 1 600 . 1 1 74 74 ILE HG21 H 1 0.17 0.00 . 1 . . . . 243 . . . 5552 1 601 . 1 1 74 74 ILE HG22 H 1 0.17 0.00 . 1 . . . . 243 . . . 5552 1 602 . 1 1 74 74 ILE HG23 H 1 0.17 0.00 . 1 . . . . 243 . . . 5552 1 603 . 1 1 74 74 ILE HD11 H 1 0.52 0.00 . 1 . . . . 243 . . . 5552 1 604 . 1 1 74 74 ILE HD12 H 1 0.52 0.00 . 1 . . . . 243 . . . 5552 1 605 . 1 1 74 74 ILE HD13 H 1 0.52 0.00 . 1 . . . . 243 . . . 5552 1 606 . 1 1 74 74 ILE CA C 13 66.58 0.00 . 1 . . . . 243 . . . 5552 1 607 . 1 1 74 74 ILE CB C 13 37.67 0.00 . 1 . . . . 243 . . . 5552 1 608 . 1 1 74 74 ILE CG1 C 13 29.68 0.00 . 1 . . . . 243 . . . 5552 1 609 . 1 1 74 74 ILE CG2 C 13 15.62 0.00 . 1 . . . . 243 . . . 5552 1 610 . 1 1 74 74 ILE CD1 C 13 13.43 0.00 . 1 . . . . 243 . . . 5552 1 611 . 1 1 74 74 ILE N N 15 120.09 0.00 . 1 . . . . 243 . . . 5552 1 612 . 1 1 75 75 ASP H H 1 8.77 0.00 . 1 . . . . 244 . . . 5552 1 613 . 1 1 75 75 ASP HA H 1 4.61 0.00 . 1 . . . . 244 . . . 5552 1 614 . 1 1 75 75 ASP HB2 H 1 2.63 0.00 . 1 . . . . 244 . . . 5552 1 615 . 1 1 75 75 ASP HB3 H 1 2.84 0.00 . 1 . . . . 244 . . . 5552 1 616 . 1 1 75 75 ASP CA C 13 57.50 0.00 . 1 . . . . 244 . . . 5552 1 617 . 1 1 75 75 ASP CB C 13 40.70 0.00 . 1 . . . . 244 . . . 5552 1 618 . 1 1 75 75 ASP N N 15 118.21 0.00 . 1 . . . . 244 . . . 5552 1 619 . 1 1 76 76 TRP H H 1 8.26 0.00 . 1 . . . . 245 . . . 5552 1 620 . 1 1 76 76 TRP HA H 1 4.16 0.00 . 1 . . . . 245 . . . 5552 1 621 . 1 1 76 76 TRP HB2 H 1 3.37 0.00 . 1 . . . . 245 . . . 5552 1 622 . 1 1 76 76 TRP HB3 H 1 3.61 0.00 . 1 . . . . 245 . . . 5552 1 623 . 1 1 76 76 TRP HE1 H 1 10.14 0.00 . 1 . . . . 245 . . . 5552 1 624 . 1 1 76 76 TRP CA C 13 61.44 0.00 . 1 . . . . 245 . . . 5552 1 625 . 1 1 76 76 TRP CB C 13 27.70 0.00 . 1 . . . . 245 . . . 5552 1 626 . 1 1 76 76 TRP N N 15 123.22 0.00 . 1 . . . . 245 . . . 5552 1 627 . 1 1 76 76 TRP NE1 N 15 130.51 0.00 . 1 . . . . 245 . . . 5552 1 628 . 1 1 77 77 VAL H H 1 8.25 0.00 . 1 . . . . 246 . . . 5552 1 629 . 1 1 77 77 VAL HA H 1 4.36 0.00 . 1 . . . . 246 . . . 5552 1 630 . 1 1 77 77 VAL HB H 1 1.94 0.00 . 1 . . . . 246 . . . 5552 1 631 . 1 1 77 77 VAL HG11 H 1 0.36 0.00 . 1 . . . . 246 . . . 5552 1 632 . 1 1 77 77 VAL HG12 H 1 0.36 0.00 . 1 . . . . 246 . . . 5552 1 633 . 1 1 77 77 VAL HG13 H 1 0.36 0.00 . 1 . . . . 246 . . . 5552 1 634 . 1 1 77 77 VAL CA C 13 65.76 0.00 . 1 . . . . 246 . . . 5552 1 635 . 1 1 77 77 VAL CB C 13 31.06 0.00 . 1 . . . . 246 . . . 5552 1 636 . 1 1 77 77 VAL CG1 C 13 21.15 0.00 . 1 . . . . 246 . . . 5552 1 637 . 1 1 77 77 VAL N N 15 122.38 0.00 . 1 . . . . 246 . . . 5552 1 638 . 1 1 78 78 LYS H H 1 8.56 0.00 . 1 . . . . 247 . . . 5552 1 639 . 1 1 78 78 LYS CA C 13 58.83 0.00 . 1 . . . . 247 . . . 5552 1 640 . 1 1 78 78 LYS CB C 13 31.88 0.00 . 1 . . . . 247 . . . 5552 1 641 . 1 1 78 78 LYS N N 15 122.18 0.00 . 1 . . . . 247 . . . 5552 1 642 . 1 1 79 79 ASN H H 1 8.52 0.00 . 1 . . . . 248 . . . 5552 1 643 . 1 1 79 79 ASN HA H 1 4.36 0.00 . 1 . . . . 248 . . . 5552 1 644 . 1 1 79 79 ASN HB3 H 1 2.74 0.00 . 1 . . . . 248 . . . 5552 1 645 . 1 1 79 79 ASN CA C 13 55.02 0.00 . 1 . . . . 248 . . . 5552 1 646 . 1 1 79 79 ASN CB C 13 37.95 0.00 . 1 . . . . 248 . . . 5552 1 647 . 1 1 79 79 ASN N N 15 118.21 0.00 . 1 . . . . 248 . . . 5552 1 648 . 1 1 80 80 SER H H 1 7.50 0.00 . 1 . . . . 249 . . . 5552 1 649 . 1 1 80 80 SER HA H 1 4.30 0.00 . 1 . . . . 249 . . . 5552 1 650 . 1 1 80 80 SER HB2 H 1 3.25 0.00 . 1 . . . . 249 . . . 5552 1 651 . 1 1 80 80 SER HB3 H 1 3.59 0.00 . 1 . . . . 249 . . . 5552 1 652 . 1 1 80 80 SER CA C 13 58.01 0.00 . 1 . . . . 249 . . . 5552 1 653 . 1 1 80 80 SER CB C 13 62.46 0.00 . 1 . . . . 249 . . . 5552 1 654 . 1 1 80 80 SER N N 15 114.63 0.00 . 1 . . . . 249 . . . 5552 1 655 . 1 1 81 81 GLY H H 1 7.64 0.00 . 1 . . . . 250 . . . 5552 1 656 . 1 1 81 81 GLY HA2 H 1 3.76 0.00 . 1 . . . . 250 . . . 5552 1 657 . 1 1 81 81 GLY HA3 H 1 4.12 0.00 . 1 . . . . 250 . . . 5552 1 658 . 1 1 81 81 GLY CA C 13 45.22 0.00 . 1 . . . . 250 . . . 5552 1 659 . 1 1 81 81 GLY N N 15 109.67 0.00 . 1 . . . . 250 . . . 5552 1 660 . 1 1 82 82 GLY H H 1 7.73 0.00 . 1 . . . . 251 . . . 5552 1 661 . 1 1 82 82 GLY HA2 H 1 3.55 0.00 . 1 . . . . 251 . . . 5552 1 662 . 1 1 82 82 GLY HA3 H 1 4.38 0.00 . 1 . . . . 251 . . . 5552 1 663 . 1 1 82 82 GLY CA C 13 43.45 0.00 . 1 . . . . 251 . . . 5552 1 664 . 1 1 82 82 GLY N N 15 108.00 0.00 . 1 . . . . 251 . . . 5552 1 665 . 1 1 83 83 ARG H H 1 7.90 0.00 . 1 . . . . 252 . . . 5552 1 666 . 1 1 83 83 ARG HA H 1 4.87 0.00 . 1 . . . . 252 . . . 5552 1 667 . 1 1 83 83 ARG HB3 H 1 1.90 0.00 . 1 . . . . 252 . . . 5552 1 668 . 1 1 83 83 ARG HG3 H 1 1.56 0.00 . 1 . . . . 252 . . . 5552 1 669 . 1 1 83 83 ARG HD3 H 1 3.50 0.00 . 1 . . . . 252 . . . 5552 1 670 . 1 1 83 83 ARG CA C 13 54.76 0.00 . 1 . . . . 252 . . . 5552 1 671 . 1 1 83 83 ARG CB C 13 34.11 0.00 . 1 . . . . 252 . . . 5552 1 672 . 1 1 83 83 ARG N N 15 114.46 0.00 . 1 . . . . 252 . . . 5552 1 673 . 1 1 84 84 VAL H H 1 9.04 0.00 . 1 . . . . 253 . . . 5552 1 674 . 1 1 84 84 VAL HA H 1 5.46 0.00 . 1 . . . . 253 . . . 5552 1 675 . 1 1 84 84 VAL HB H 1 2.06 0.00 . 1 . . . . 253 . . . 5552 1 676 . 1 1 84 84 VAL HG11 H 1 1.25 0.00 . 1 . . . . 253 . . . 5552 1 677 . 1 1 84 84 VAL HG12 H 1 1.25 0.00 . 1 . . . . 253 . . . 5552 1 678 . 1 1 84 84 VAL HG13 H 1 1.25 0.00 . 1 . . . . 253 . . . 5552 1 679 . 1 1 84 84 VAL HG21 H 1 0.99 0.00 . 1 . . . . 253 . . . 5552 1 680 . 1 1 84 84 VAL HG22 H 1 0.99 0.00 . 1 . . . . 253 . . . 5552 1 681 . 1 1 84 84 VAL HG23 H 1 0.99 0.00 . 1 . . . . 253 . . . 5552 1 682 . 1 1 84 84 VAL CA C 13 57.50 0.00 . 1 . . . . 253 . . . 5552 1 683 . 1 1 84 84 VAL CB C 13 35.47 0.00 . 1 . . . . 253 . . . 5552 1 684 . 1 1 84 84 VAL CG1 C 13 20.60 0.00 . 1 . . . . 253 . . . 5552 1 685 . 1 1 84 84 VAL CG2 C 13 20.05 0.00 . 1 . . . . 253 . . . 5552 1 686 . 1 1 84 84 VAL N N 15 123.22 0.00 . 1 . . . . 253 . . . 5552 1 687 . 1 1 85 85 LEU H H 1 8.47 0.00 . 1 . . . . 254 . . . 5552 1 688 . 1 1 85 85 LEU HA H 1 4.82 0.00 . 1 . . . . 254 . . . 5552 1 689 . 1 1 85 85 LEU CA C 13 52.79 0.00 . 1 . . . . 254 . . . 5552 1 690 . 1 1 85 85 LEU CB C 13 42.89 0.00 . 1 . . . . 254 . . . 5552 1 691 . 1 1 85 85 LEU N N 15 127.39 0.00 . 1 . . . . 254 . . . 5552 1 692 . 1 1 86 86 VAL H H 1 9.61 0.00 . 1 . . . . 255 . . . 5552 1 693 . 1 1 86 86 VAL HA H 1 5.07 0.00 . 1 . . . . 255 . . . 5552 1 694 . 1 1 86 86 VAL HB H 1 2.10 0.00 . 1 . . . . 255 . . . 5552 1 695 . 1 1 86 86 VAL HG11 H 1 1.01 0.00 . 1 . . . . 255 . . . 5552 1 696 . 1 1 86 86 VAL HG12 H 1 1.01 0.00 . 1 . . . . 255 . . . 5552 1 697 . 1 1 86 86 VAL HG13 H 1 1.01 0.00 . 1 . . . . 255 . . . 5552 1 698 . 1 1 86 86 VAL HG21 H 1 0.89 0.00 . 1 . . . . 255 . . . 5552 1 699 . 1 1 86 86 VAL HG22 H 1 0.89 0.00 . 1 . . . . 255 . . . 5552 1 700 . 1 1 86 86 VAL HG23 H 1 0.89 0.00 . 1 . . . . 255 . . . 5552 1 701 . 1 1 86 86 VAL CA C 13 61.07 0.00 . 1 . . . . 255 . . . 5552 1 702 . 1 1 86 86 VAL CB C 13 31.32 0.00 . 1 . . . . 255 . . . 5552 1 703 . 1 1 86 86 VAL CG1 C 13 22.24 0.00 . 1 . . . . 255 . . . 5552 1 704 . 1 1 86 86 VAL CG2 C 13 22.24 0.00 . 1 . . . . 255 . . . 5552 1 705 . 1 1 86 86 VAL N N 15 130.73 0.00 . 1 . . . . 255 . . . 5552 1 706 . 1 1 87 87 HIS H H 1 8.93 0.00 . 1 . . . . 256 . . . 5552 1 707 . 1 1 87 87 HIS HA H 1 5.93 0.00 . 1 . . . . 256 . . . 5552 1 708 . 1 1 87 87 HIS HB2 H 1 2.33 0.00 . 1 . . . . 256 . . . 5552 1 709 . 1 1 87 87 HIS HB3 H 1 3.14 0.00 . 1 . . . . 256 . . . 5552 1 710 . 1 1 87 87 HIS CA C 13 53.09 0.00 . 1 . . . . 256 . . . 5552 1 711 . 1 1 87 87 HIS CB C 13 32.99 0.00 . 1 . . . . 256 . . . 5552 1 712 . 1 1 87 87 HIS N N 15 122.80 0.00 . 1 . . . . 256 . . . 5552 1 713 . 1 1 88 88 SER H H 1 6.99 0.00 . 1 . . . . 257 . . . 5552 1 714 . 1 1 88 88 SER HA H 1 4.33 0.00 . 1 . . . . 257 . . . 5552 1 715 . 1 1 88 88 SER HB2 H 1 2.73 0.00 . 1 . . . . 257 . . . 5552 1 716 . 1 1 88 88 SER HB3 H 1 3.64 0.00 . 1 . . . . 257 . . . 5552 1 717 . 1 1 88 88 SER CA C 13 55.87 0.00 . 1 . . . . 257 . . . 5552 1 718 . 1 1 88 88 SER CB C 13 63.41 0.00 . 1 . . . . 257 . . . 5552 1 719 . 1 1 88 88 SER N N 15 113.42 0.00 . 1 . . . . 257 . . . 5552 1 720 . 1 1 89 89 GLN CA C 13 59.49 0.00 . 1 . . . . 258 . . . 5552 1 721 . 1 1 89 89 GLN CB C 13 28.31 0.00 . 1 . . . . 258 . . . 5552 1 722 . 1 1 90 90 ALA H H 1 10.07 0.00 . 1 . . . . 259 . . . 5552 1 723 . 1 1 90 90 ALA HA H 1 4.69 0.00 . 1 . . . . 259 . . . 5552 1 724 . 1 1 90 90 ALA HB1 H 1 1.70 0.00 . 1 . . . . 259 . . . 5552 1 725 . 1 1 90 90 ALA HB2 H 1 1.70 0.00 . 1 . . . . 259 . . . 5552 1 726 . 1 1 90 90 ALA HB3 H 1 1.70 0.00 . 1 . . . . 259 . . . 5552 1 727 . 1 1 90 90 ALA CA C 13 52.81 0.00 . 1 . . . . 259 . . . 5552 1 728 . 1 1 90 90 ALA CB C 13 19.50 0.00 . 1 . . . . 259 . . . 5552 1 729 . 1 1 90 90 ALA N N 15 122.17 0.00 . 1 . . . . 259 . . . 5552 1 730 . 1 1 91 91 GLY H H 1 7.88 0.00 . 1 . . . . 260 . . . 5552 1 731 . 1 1 91 91 GLY HA2 H 1 3.63 0.00 . 1 . . . . 260 . . . 5552 1 732 . 1 1 91 91 GLY HA3 H 1 3.98 0.00 . 1 . . . . 260 . . . 5552 1 733 . 1 1 91 91 GLY CA C 13 46.34 0.00 . 1 . . . . 260 . . . 5552 1 734 . 1 1 91 91 GLY N N 15 107.37 0.00 . 1 . . . . 260 . . . 5552 1 735 . 1 1 92 92 ILE HA H 1 4.44 0.00 . 1 . . . . 261 . . . 5552 1 736 . 1 1 92 92 ILE HB H 1 1.81 0.00 . 1 . . . . 261 . . . 5552 1 737 . 1 1 92 92 ILE HG13 H 1 1.39 0.00 . 1 . . . . 261 . . . 5552 1 738 . 1 1 92 92 ILE HG21 H 1 0.86 0.00 . 1 . . . . 261 . . . 5552 1 739 . 1 1 92 92 ILE HG22 H 1 0.86 0.00 . 1 . . . . 261 . . . 5552 1 740 . 1 1 92 92 ILE HG23 H 1 0.86 0.00 . 1 . . . . 261 . . . 5552 1 741 . 1 1 92 92 ILE HD11 H 1 0.84 0.00 . 1 . . . . 261 . . . 5552 1 742 . 1 1 92 92 ILE HD12 H 1 0.84 0.00 . 1 . . . . 261 . . . 5552 1 743 . 1 1 92 92 ILE HD13 H 1 0.84 0.00 . 1 . . . . 261 . . . 5552 1 744 . 1 1 92 92 ILE CA C 13 62.18 0.00 . 1 . . . . 261 . . . 5552 1 745 . 1 1 92 92 ILE CB C 13 41.52 0.00 . 1 . . . . 261 . . . 5552 1 746 . 1 1 92 92 ILE CG2 C 13 17.57 0.00 . 1 . . . . 261 . . . 5552 1 747 . 1 1 92 92 ILE CD1 C 13 12.34 0.00 . 1 . . . . 261 . . . 5552 1 748 . 1 1 93 93 SER H H 1 9.96 0.00 . 1 . . . . 262 . . . 5552 1 749 . 1 1 93 93 SER HA H 1 5.06 0.00 . 1 . . . . 262 . . . 5552 1 750 . 1 1 93 93 SER HB3 H 1 4.77 0.00 . 1 . . . . 262 . . . 5552 1 751 . 1 1 93 93 SER CA C 13 58.63 0.00 . 1 . . . . 262 . . . 5552 1 752 . 1 1 93 93 SER CB C 13 63.65 0.00 . 1 . . . . 262 . . . 5552 1 753 . 1 1 93 93 SER N N 15 117.59 0.00 . 1 . . . . 262 . . . 5552 1 754 . 1 1 94 94 ARG H H 1 12.22 0.00 . 1 . . . . 263 . . . 5552 1 755 . 1 1 94 94 ARG HA H 1 4.73 0.00 . 1 . . . . 263 . . . 5552 1 756 . 1 1 94 94 ARG CA C 13 60.84 0.00 . 1 . . . . 263 . . . 5552 1 757 . 1 1 94 94 ARG CB C 13 30.61 0.00 . 1 . . . . 263 . . . 5552 1 758 . 1 1 94 94 ARG N N 15 128.85 0.00 . 1 . . . . 263 . . . 5552 1 759 . 1 1 95 95 SER H H 1 7.10 0.00 . 1 . . . . 264 . . . 5552 1 760 . 1 1 95 95 SER HA H 1 3.65 0.00 . 1 . . . . 264 . . . 5552 1 761 . 1 1 95 95 SER HB2 H 1 2.15 0.00 . 1 . . . . 264 . . . 5552 1 762 . 1 1 95 95 SER HB3 H 1 2.33 0.00 . 1 . . . . 264 . . . 5552 1 763 . 1 1 95 95 SER CA C 13 60.80 0.00 . 1 . . . . 264 . . . 5552 1 764 . 1 1 95 95 SER CB C 13 60.93 0.00 . 1 . . . . 264 . . . 5552 1 765 . 1 1 95 95 SER N N 15 132.56 0.00 . 1 . . . . 264 . . . 5552 1 766 . 1 1 96 96 ALA H H 1 5.97 0.00 . 1 . . . . 265 . . . 5552 1 767 . 1 1 96 96 ALA HA H 1 3.75 0.00 . 1 . . . . 265 . . . 5552 1 768 . 1 1 96 96 ALA HB1 H 1 1.27 0.00 . 1 . . . . 265 . . . 5552 1 769 . 1 1 96 96 ALA HB2 H 1 1.27 0.00 . 1 . . . . 265 . . . 5552 1 770 . 1 1 96 96 ALA HB3 H 1 1.27 0.00 . 1 . . . . 265 . . . 5552 1 771 . 1 1 96 96 ALA CA C 13 55.57 0.00 . 1 . . . . 265 . . . 5552 1 772 . 1 1 96 96 ALA CB C 13 19.49 0.00 . 1 . . . . 265 . . . 5552 1 773 . 1 1 96 96 ALA N N 15 123.63 0.00 . 1 . . . . 265 . . . 5552 1 774 . 1 1 97 97 THR H H 1 8.21 0.00 . 1 . . . . 266 . . . 5552 1 775 . 1 1 97 97 THR HA H 1 3.81 0.00 . 1 . . . . 266 . . . 5552 1 776 . 1 1 97 97 THR HB H 1 4.34 0.00 . 1 . . . . 266 . . . 5552 1 777 . 1 1 97 97 THR HG21 H 1 1.13 0.00 . 1 . . . . 266 . . . 5552 1 778 . 1 1 97 97 THR HG22 H 1 1.13 0.00 . 1 . . . . 266 . . . 5552 1 779 . 1 1 97 97 THR HG23 H 1 1.13 0.00 . 1 . . . . 266 . . . 5552 1 780 . 1 1 97 97 THR CA C 13 68.23 0.00 . 1 . . . . 266 . . . 5552 1 781 . 1 1 97 97 THR CB C 13 67.69 0.00 . 1 . . . . 266 . . . 5552 1 782 . 1 1 97 97 THR CG2 C 13 20.80 0.00 . 1 . . . . 266 . . . 5552 1 783 . 1 1 97 97 THR N N 15 114.88 0.00 . 1 . . . . 266 . . . 5552 1 784 . 1 1 98 98 ILE H H 1 7.11 0.00 . 1 . . . . 267 . . . 5552 1 785 . 1 1 98 98 ILE HA H 1 3.55 0.00 . 1 . . . . 267 . . . 5552 1 786 . 1 1 98 98 ILE HB H 1 2.17 0.00 . 1 . . . . 267 . . . 5552 1 787 . 1 1 98 98 ILE HG12 H 1 1.27 0.00 . 1 . . . . 267 . . . 5552 1 788 . 1 1 98 98 ILE HG13 H 1 1.94 0.00 . 1 . . . . 267 . . . 5552 1 789 . 1 1 98 98 ILE HG21 H 1 0.82 0.00 . 1 . . . . 267 . . . 5552 1 790 . 1 1 98 98 ILE HG22 H 1 0.82 0.00 . 1 . . . . 267 . . . 5552 1 791 . 1 1 98 98 ILE HG23 H 1 0.82 0.00 . 1 . . . . 267 . . . 5552 1 792 . 1 1 98 98 ILE HD11 H 1 0.72 0.00 . 1 . . . . 267 . . . 5552 1 793 . 1 1 98 98 ILE HD12 H 1 0.72 0.00 . 1 . . . . 267 . . . 5552 1 794 . 1 1 98 98 ILE HD13 H 1 0.72 0.00 . 1 . . . . 267 . . . 5552 1 795 . 1 1 98 98 ILE CA C 13 61.62 0.00 . 1 . . . . 267 . . . 5552 1 796 . 1 1 98 98 ILE CB C 13 35.19 0.00 . 1 . . . . 267 . . . 5552 1 797 . 1 1 98 98 ILE CG2 C 13 18.32 0.00 . 1 . . . . 267 . . . 5552 1 798 . 1 1 98 98 ILE CD1 C 13 8.40 0.00 . 1 . . . . 267 . . . 5552 1 799 . 1 1 98 98 ILE N N 15 119.05 0.00 . 1 . . . . 267 . . . 5552 1 800 . 1 1 99 99 CYS H H 1 7.79 0.00 . 1 . . . . 268 . . . 5552 1 801 . 1 1 99 99 CYS HA H 1 3.94 0.00 . 1 . . . . 268 . . . 5552 1 802 . 1 1 99 99 CYS HB2 H 1 3.04 0.00 . 1 . . . . 268 . . . 5552 1 803 . 1 1 99 99 CYS HB3 H 1 2.55 0.00 . 1 . . . . 268 . . . 5552 1 804 . 1 1 99 99 CYS CA C 13 64.93 0.00 . 1 . . . . 268 . . . 5552 1 805 . 1 1 99 99 CYS CB C 13 26.38 0.00 . 1 . . . . 268 . . . 5552 1 806 . 1 1 99 99 CYS N N 15 116.34 0.00 . 1 . . . . 268 . . . 5552 1 807 . 1 1 100 100 LEU H H 1 8.45 0.00 . 1 . . . . 269 . . . 5552 1 808 . 1 1 100 100 LEU HA H 1 3.82 0.00 . 1 . . . . 269 . . . 5552 1 809 . 1 1 100 100 LEU CA C 13 58.11 0.00 . 1 . . . . 269 . . . 5552 1 810 . 1 1 100 100 LEU CB C 13 40.67 0.00 . 1 . . . . 269 . . . 5552 1 811 . 1 1 100 100 LEU N N 15 119.46 0.00 . 1 . . . . 269 . . . 5552 1 812 . 1 1 101 101 ALA H H 1 7.91 0.00 . 1 . . . . 270 . . . 5552 1 813 . 1 1 101 101 ALA HA H 1 3.91 0.00 . 1 . . . . 270 . . . 5552 1 814 . 1 1 101 101 ALA HB1 H 1 0.17 0.00 . 1 . . . . 270 . . . 5552 1 815 . 1 1 101 101 ALA HB2 H 1 0.17 0.00 . 1 . . . . 270 . . . 5552 1 816 . 1 1 101 101 ALA HB3 H 1 0.17 0.00 . 1 . . . . 270 . . . 5552 1 817 . 1 1 101 101 ALA CA C 13 55.00 0.00 . 1 . . . . 270 . . . 5552 1 818 . 1 1 101 101 ALA CB C 13 15.66 0.00 . 1 . . . . 270 . . . 5552 1 819 . 1 1 101 101 ALA N N 15 121.13 0.00 . 1 . . . . 270 . . . 5552 1 820 . 1 1 102 102 TYR H H 1 8.14 0.00 . 1 . . . . 271 . . . 5552 1 821 . 1 1 102 102 TYR HA H 1 3.84 0.00 . 1 . . . . 271 . . . 5552 1 822 . 1 1 102 102 TYR HB3 H 1 3.08 0.00 . 1 . . . . 271 . . . 5552 1 823 . 1 1 102 102 TYR HD1 H 1 7.24 0.00 . 3 . . . . 271 . . . 5552 1 824 . 1 1 102 102 TYR HE1 H 1 7.52 0.00 . 3 . . . . 271 . . . 5552 1 825 . 1 1 102 102 TYR CA C 13 62.65 0.00 . 1 . . . . 271 . . . 5552 1 826 . 1 1 102 102 TYR CB C 13 37.88 0.00 . 1 . . . . 271 . . . 5552 1 827 . 1 1 102 102 TYR N N 15 115.50 0.00 . 1 . . . . 271 . . . 5552 1 828 . 1 1 103 103 LEU H H 1 8.35 0.00 . 1 . . . . 272 . . . 5552 1 829 . 1 1 103 103 LEU HA H 1 3.57 0.00 . 1 . . . . 272 . . . 5552 1 830 . 1 1 103 103 LEU HB2 H 1 1.09 0.00 . 1 . . . . 272 . . . 5552 1 831 . 1 1 103 103 LEU HB3 H 1 1.94 0.00 . 1 . . . . 272 . . . 5552 1 832 . 1 1 103 103 LEU HG H 1 1.06 0.00 . 1 . . . . 272 . . . 5552 1 833 . 1 1 103 103 LEU HD11 H 1 0.80 0.00 . 1 . . . . 272 . . . 5552 1 834 . 1 1 103 103 LEU HD12 H 1 0.80 0.00 . 1 . . . . 272 . . . 5552 1 835 . 1 1 103 103 LEU HD13 H 1 0.80 0.00 . 1 . . . . 272 . . . 5552 1 836 . 1 1 103 103 LEU HD21 H 1 0.62 0.00 . 1 . . . . 272 . . . 5552 1 837 . 1 1 103 103 LEU HD22 H 1 0.62 0.00 . 1 . . . . 272 . . . 5552 1 838 . 1 1 103 103 LEU HD23 H 1 0.62 0.00 . 1 . . . . 272 . . . 5552 1 839 . 1 1 103 103 LEU CA C 13 58.05 0.00 . 1 . . . . 272 . . . 5552 1 840 . 1 1 103 103 LEU CB C 13 42.63 0.00 . 1 . . . . 272 . . . 5552 1 841 . 1 1 103 103 LEU CD1 C 13 26.91 0.00 . 1 . . . . 272 . . . 5552 1 842 . 1 1 103 103 LEU CD2 C 13 23.07 0.00 . 1 . . . . 272 . . . 5552 1 843 . 1 1 103 103 LEU N N 15 121.59 0.00 . 1 . . . . 272 . . . 5552 1 844 . 1 1 104 104 MET H H 1 8.33 0.00 . 1 . . . . 273 . . . 5552 1 845 . 1 1 104 104 MET HA H 1 4.01 0.00 . 1 . . . . 273 . . . 5552 1 846 . 1 1 104 104 MET HB3 H 1 2.33 0.00 . 1 . . . . 273 . . . 5552 1 847 . 1 1 104 104 MET HG3 H 1 2.53 0.00 . 1 . . . . 273 . . . 5552 1 848 . 1 1 104 104 MET HE1 H 1 2.32 0.00 . 1 . . . . 273 . . . 5552 1 849 . 1 1 104 104 MET HE2 H 1 2.32 0.00 . 1 . . . . 273 . . . 5552 1 850 . 1 1 104 104 MET HE3 H 1 2.32 0.00 . 1 . . . . 273 . . . 5552 1 851 . 1 1 104 104 MET CA C 13 60.25 0.00 . 1 . . . . 273 . . . 5552 1 852 . 1 1 104 104 MET CB C 13 34.37 0.00 . 1 . . . . 273 . . . 5552 1 853 . 1 1 104 104 MET CG C 13 31.06 0.00 . 1 . . . . 273 . . . 5552 1 854 . 1 1 104 104 MET CE C 13 16.74 0.00 . 1 . . . . 273 . . . 5552 1 855 . 1 1 104 104 MET N N 15 116.96 0.00 . 1 . . . . 273 . . . 5552 1 856 . 1 1 105 105 GLN H H 1 8.02 0.00 . 1 . . . . 274 . . . 5552 1 857 . 1 1 105 105 GLN HA H 1 3.94 0.00 . 1 . . . . 274 . . . 5552 1 858 . 1 1 105 105 GLN CA C 13 58.64 0.00 . 1 . . . . 274 . . . 5552 1 859 . 1 1 105 105 GLN CB C 13 28.66 0.00 . 1 . . . . 274 . . . 5552 1 860 . 1 1 105 105 GLN N N 15 115.08 0.00 . 1 . . . . 274 . . . 5552 1 861 . 1 1 106 106 SER H H 1 8.34 0.00 . 1 . . . . 275 . . . 5552 1 862 . 1 1 106 106 SER HA H 1 3.99 0.00 . 1 . . . . 275 . . . 5552 1 863 . 1 1 106 106 SER HB2 H 1 3.37 0.00 . 1 . . . . 275 . . . 5552 1 864 . 1 1 106 106 SER HB3 H 1 3.47 0.00 . 1 . . . . 275 . . . 5552 1 865 . 1 1 106 106 SER CA C 13 60.67 0.00 . 1 . . . . 275 . . . 5552 1 866 . 1 1 106 106 SER CB C 13 62.60 0.00 . 1 . . . . 275 . . . 5552 1 867 . 1 1 106 106 SER N N 15 112.79 0.00 . 1 . . . . 275 . . . 5552 1 868 . 1 1 107 107 ARG H H 1 7.89 0.00 . 1 . . . . 276 . . . 5552 1 869 . 1 1 107 107 ARG HA H 1 4.36 0.00 . 1 . . . . 276 . . . 5552 1 870 . 1 1 107 107 ARG HB2 H 1 1.70 0.00 . 1 . . . . 276 . . . 5552 1 871 . 1 1 107 107 ARG HB3 H 1 1.92 0.00 . 1 . . . . 276 . . . 5552 1 872 . 1 1 107 107 ARG HG2 H 1 1.53 0.00 . 1 . . . . 276 . . . 5552 1 873 . 1 1 107 107 ARG HG3 H 1 1.54 0.00 . 1 . . . . 276 . . . 5552 1 874 . 1 1 107 107 ARG HD2 H 1 2.94 0.00 . 1 . . . . 276 . . . 5552 1 875 . 1 1 107 107 ARG HD3 H 1 2.84 0.00 . 1 . . . . 276 . . . 5552 1 876 . 1 1 107 107 ARG CA C 13 55.25 0.00 . 1 . . . . 276 . . . 5552 1 877 . 1 1 107 107 ARG CB C 13 30.51 0.00 . 1 . . . . 276 . . . 5552 1 878 . 1 1 107 107 ARG CG C 13 27.48 0.00 . 1 . . . . 276 . . . 5552 1 879 . 1 1 107 107 ARG CD C 13 43.18 0.00 . 1 . . . . 276 . . . 5552 1 880 . 1 1 107 107 ARG N N 15 117.59 0.00 . 1 . . . . 276 . . . 5552 1 881 . 1 1 108 108 ARG H H 1 7.46 0.00 . 1 . . . . 277 . . . 5552 1 882 . 1 1 108 108 ARG HA H 1 3.92 0.00 . 1 . . . . 277 . . . 5552 1 883 . 1 1 108 108 ARG HB2 H 1 1.76 0.00 . 1 . . . . 277 . . . 5552 1 884 . 1 1 108 108 ARG HB3 H 1 2.00 0.00 . 1 . . . . 277 . . . 5552 1 885 . 1 1 108 108 ARG HG2 H 1 1.50 0.00 . 1 . . . . 277 . . . 5552 1 886 . 1 1 108 108 ARG HG3 H 1 1.49 0.00 . 1 . . . . 277 . . . 5552 1 887 . 1 1 108 108 ARG HD2 H 1 3.15 0.00 . 1 . . . . 277 . . . 5552 1 888 . 1 1 108 108 ARG HD3 H 1 3.18 0.00 . 1 . . . . 277 . . . 5552 1 889 . 1 1 108 108 ARG CA C 13 56.31 0.00 . 1 . . . . 277 . . . 5552 1 890 . 1 1 108 108 ARG CB C 13 26.10 0.00 . 1 . . . . 277 . . . 5552 1 891 . 1 1 108 108 ARG CG C 13 27.76 0.00 . 1 . . . . 277 . . . 5552 1 892 . 1 1 108 108 ARG CD C 13 42.90 0.00 . 1 . . . . 277 . . . 5552 1 893 . 1 1 108 108 ARG N N 15 118.82 0.00 . 1 . . . . 277 . . . 5552 1 894 . 1 1 109 109 VAL H H 1 7.16 0.00 . 1 . . . . 278 . . . 5552 1 895 . 1 1 109 109 VAL HA H 1 4.65 0.00 . 1 . . . . 278 . . . 5552 1 896 . 1 1 109 109 VAL HB H 1 2.21 0.00 . 1 . . . . 278 . . . 5552 1 897 . 1 1 109 109 VAL HG11 H 1 0.74 0.00 . 1 . . . . 278 . . . 5552 1 898 . 1 1 109 109 VAL HG12 H 1 0.74 0.00 . 1 . . . . 278 . . . 5552 1 899 . 1 1 109 109 VAL HG13 H 1 0.74 0.00 . 1 . . . . 278 . . . 5552 1 900 . 1 1 109 109 VAL HG21 H 1 0.62 0.00 . 1 . . . . 278 . . . 5552 1 901 . 1 1 109 109 VAL HG22 H 1 0.62 0.00 . 1 . . . . 278 . . . 5552 1 902 . 1 1 109 109 VAL HG23 H 1 0.62 0.00 . 1 . . . . 278 . . . 5552 1 903 . 1 1 109 109 VAL CA C 13 57.50 0.00 . 1 . . . . 278 . . . 5552 1 904 . 1 1 109 109 VAL CB C 13 34.92 0.00 . 1 . . . . 278 . . . 5552 1 905 . 1 1 109 109 VAL CG1 C 13 21.35 0.00 . 1 . . . . 278 . . . 5552 1 906 . 1 1 109 109 VAL CG2 C 13 18.10 0.00 . 1 . . . . 278 . . . 5552 1 907 . 1 1 109 109 VAL N N 15 110.08 0.00 . 1 . . . . 278 . . . 5552 1 908 . 1 1 110 110 ARG H H 1 8.30 0.00 . 1 . . . . 279 . . . 5552 1 909 . 1 1 110 110 ARG HA H 1 4.10 0.00 . 1 . . . . 279 . . . 5552 1 910 . 1 1 110 110 ARG HB2 H 1 1.88 0.00 . 1 . . . . 279 . . . 5552 1 911 . 1 1 110 110 ARG HB3 H 1 2.21 0.00 . 1 . . . . 279 . . . 5552 1 912 . 1 1 110 110 ARG HG2 H 1 1.45 0.00 . 1 . . . . 279 . . . 5552 1 913 . 1 1 110 110 ARG HG3 H 1 1.48 0.00 . 1 . . . . 279 . . . 5552 1 914 . 1 1 110 110 ARG HD3 H 1 3.27 0.00 . 1 . . . . 279 . . . 5552 1 915 . 1 1 110 110 ARG CA C 13 55.33 0.00 . 1 . . . . 279 . . . 5552 1 916 . 1 1 110 110 ARG CB C 13 31.61 0.00 . 1 . . . . 279 . . . 5552 1 917 . 1 1 110 110 ARG CD C 13 43.22 0.00 . 1 . . . . 279 . . . 5552 1 918 . 1 1 110 110 ARG N N 15 116.33 0.00 . 1 . . . . 279 . . . 5552 1 919 . 1 1 111 111 LEU H H 1 9.98 0.00 . 1 . . . . 280 . . . 5552 1 920 . 1 1 111 111 LEU HA H 1 4.34 0.00 . 1 . . . . 280 . . . 5552 1 921 . 1 1 111 111 LEU HB2 H 1 1.60 0.00 . 1 . . . . 280 . . . 5552 1 922 . 1 1 111 111 LEU HB3 H 1 2.08 0.00 . 1 . . . . 280 . . . 5552 1 923 . 1 1 111 111 LEU CA C 13 58.28 0.00 . 1 . . . . 280 . . . 5552 1 924 . 1 1 111 111 LEU CB C 13 40.97 0.00 . 1 . . . . 280 . . . 5552 1 925 . 1 1 111 111 LEU N N 15 124.00 0.00 . 1 . . . . 280 . . . 5552 1 926 . 1 1 112 112 ASP H H 1 8.97 0.00 . 1 . . . . 281 . . . 5552 1 927 . 1 1 112 112 ASP HA H 1 4.32 0.00 . 1 . . . . 281 . . . 5552 1 928 . 1 1 112 112 ASP HB2 H 1 2.65 0.00 . 1 . . . . 281 . . . 5552 1 929 . 1 1 112 112 ASP HB3 H 1 2.74 0.00 . 1 . . . . 281 . . . 5552 1 930 . 1 1 112 112 ASP CA C 13 57.77 0.00 . 1 . . . . 281 . . . 5552 1 931 . 1 1 112 112 ASP CB C 13 39.60 0.00 . 1 . . . . 281 . . . 5552 1 932 . 1 1 112 112 ASP N N 15 116.75 0.00 . 1 . . . . 281 . . . 5552 1 933 . 1 1 113 113 GLU H H 1 7.16 0.00 . 1 . . . . 282 . . . 5552 1 934 . 1 1 113 113 GLU HA H 1 4.24 0.00 . 1 . . . . 282 . . . 5552 1 935 . 1 1 113 113 GLU HB2 H 1 1.44 0.00 . 1 . . . . 282 . . . 5552 1 936 . 1 1 113 113 GLU HB3 H 1 2.02 0.00 . 1 . . . . 282 . . . 5552 1 937 . 1 1 113 113 GLU HG2 H 1 2.41 0.00 . 1 . . . . 282 . . . 5552 1 938 . 1 1 113 113 GLU HG3 H 1 2.21 0.00 . 1 . . . . 282 . . . 5552 1 939 . 1 1 113 113 GLU CA C 13 58.32 0.00 . 1 . . . . 282 . . . 5552 1 940 . 1 1 113 113 GLU CB C 13 29.62 0.00 . 1 . . . . 282 . . . 5552 1 941 . 1 1 113 113 GLU CG C 13 37.67 0.00 . 1 . . . . 282 . . . 5552 1 942 . 1 1 113 113 GLU N N 15 121.13 0.00 . 1 . . . . 282 . . . 5552 1 943 . 1 1 114 114 ALA H H 1 8.50 0.00 . 1 . . . . 283 . . . 5552 1 944 . 1 1 114 114 ALA HA H 1 4.00 0.00 . 1 . . . . 283 . . . 5552 1 945 . 1 1 114 114 ALA HB1 H 1 1.46 0.00 . 1 . . . . 283 . . . 5552 1 946 . 1 1 114 114 ALA HB2 H 1 1.46 0.00 . 1 . . . . 283 . . . 5552 1 947 . 1 1 114 114 ALA HB3 H 1 1.46 0.00 . 1 . . . . 283 . . . 5552 1 948 . 1 1 114 114 ALA CA C 13 55.29 0.00 . 1 . . . . 283 . . . 5552 1 949 . 1 1 114 114 ALA CB C 13 18.32 0.00 . 1 . . . . 283 . . . 5552 1 950 . 1 1 114 114 ALA N N 15 124.47 0.00 . 1 . . . . 283 . . . 5552 1 951 . 1 1 115 115 PHE H H 1 9.59 0.00 . 1 . . . . 284 . . . 5552 1 952 . 1 1 115 115 PHE HA H 1 3.96 0.00 . 1 . . . . 284 . . . 5552 1 953 . 1 1 115 115 PHE HB2 H 1 3.13 0.00 . 1 . . . . 284 . . . 5552 1 954 . 1 1 115 115 PHE HB3 H 1 3.36 0.00 . 1 . . . . 284 . . . 5552 1 955 . 1 1 115 115 PHE CA C 13 61.49 0.00 . 1 . . . . 284 . . . 5552 1 956 . 1 1 115 115 PHE CB C 13 39.24 0.00 . 1 . . . . 284 . . . 5552 1 957 . 1 1 115 115 PHE N N 15 119.41 0.00 . 1 . . . . 284 . . . 5552 1 958 . 1 1 116 116 ASP H H 1 8.01 0.00 . 1 . . . . 285 . . . 5552 1 959 . 1 1 116 116 ASP HA H 1 4.45 0.00 . 1 . . . . 285 . . . 5552 1 960 . 1 1 116 116 ASP HB2 H 1 2.75 0.00 . 1 . . . . 285 . . . 5552 1 961 . 1 1 116 116 ASP HB3 H 1 2.92 0.00 . 1 . . . . 285 . . . 5552 1 962 . 1 1 116 116 ASP CA C 13 57.77 0.00 . 1 . . . . 285 . . . 5552 1 963 . 1 1 116 116 ASP CB C 13 41.25 0.00 . 1 . . . . 285 . . . 5552 1 964 . 1 1 116 116 ASP N N 15 118.84 0.00 . 1 . . . . 285 . . . 5552 1 965 . 1 1 117 117 PHE H H 1 7.99 0.00 . 1 . . . . 286 . . . 5552 1 966 . 1 1 117 117 PHE HA H 1 4.04 0.00 . 1 . . . . 286 . . . 5552 1 967 . 1 1 117 117 PHE HB3 H 1 3.29 0.00 . 1 . . . . 286 . . . 5552 1 968 . 1 1 117 117 PHE HD1 H 1 7.09 0.00 . 3 . . . . 286 . . . 5552 1 969 . 1 1 117 117 PHE HE1 H 1 7.36 0.00 . 3 . . . . 286 . . . 5552 1 970 . 1 1 117 117 PHE CA C 13 61.63 0.00 . 1 . . . . 286 . . . 5552 1 971 . 1 1 117 117 PHE CB C 13 38.77 0.00 . 1 . . . . 286 . . . 5552 1 972 . 1 1 117 117 PHE N N 15 119.88 0.00 . 1 . . . . 286 . . . 5552 1 973 . 1 1 118 118 VAL H H 1 8.12 0.00 . 1 . . . . 287 . . . 5552 1 974 . 1 1 118 118 VAL HA H 1 3.39 0.00 . 1 . . . . 287 . . . 5552 1 975 . 1 1 118 118 VAL HB H 1 1.94 0.00 . 1 . . . . 287 . . . 5552 1 976 . 1 1 118 118 VAL HG11 H 1 1.05 0.00 . 1 . . . . 287 . . . 5552 1 977 . 1 1 118 118 VAL HG12 H 1 1.05 0.00 . 1 . . . . 287 . . . 5552 1 978 . 1 1 118 118 VAL HG13 H 1 1.05 0.00 . 1 . . . . 287 . . . 5552 1 979 . 1 1 118 118 VAL HG21 H 1 0.80 0.00 . 1 . . . . 287 . . . 5552 1 980 . 1 1 118 118 VAL HG22 H 1 0.80 0.00 . 1 . . . . 287 . . . 5552 1 981 . 1 1 118 118 VAL HG23 H 1 0.80 0.00 . 1 . . . . 287 . . . 5552 1 982 . 1 1 118 118 VAL CA C 13 66.86 0.00 . 1 . . . . 287 . . . 5552 1 983 . 1 1 118 118 VAL CB C 13 31.06 0.00 . 1 . . . . 287 . . . 5552 1 984 . 1 1 118 118 VAL CG1 C 13 25.00 0.00 . 1 . . . . 287 . . . 5552 1 985 . 1 1 118 118 VAL CG2 C 13 23.07 0.00 . 1 . . . . 287 . . . 5552 1 986 . 1 1 118 118 VAL N N 15 117.56 0.00 . 1 . . . . 287 . . . 5552 1 987 . 1 1 119 119 LYS H H 1 8.80 0.00 . 1 . . . . 288 . . . 5552 1 988 . 1 1 119 119 LYS CA C 13 59.11 0.00 . 1 . . . . 288 . . . 5552 1 989 . 1 1 119 119 LYS CB C 13 31.37 0.00 . 1 . . . . 288 . . . 5552 1 990 . 1 1 119 119 LYS N N 15 121.96 0.00 . 1 . . . . 288 . . . 5552 1 991 . 1 1 121 121 ARG CA C 13 57.80 0.00 . 1 . . . . 290 . . . 5552 1 992 . 1 1 121 121 ARG CB C 13 28.03 0.00 . 1 . . . . 290 . . . 5552 1 993 . 1 1 122 122 ARG H H 1 7.16 0.00 . 1 . . . . 291 . . . 5552 1 994 . 1 1 122 122 ARG HA H 1 4.13 0.00 . 1 . . . . 291 . . . 5552 1 995 . 1 1 122 122 ARG CA C 13 55.56 0.00 . 1 . . . . 291 . . . 5552 1 996 . 1 1 122 122 ARG CB C 13 28.44 0.00 . 1 . . . . 291 . . . 5552 1 997 . 1 1 122 122 ARG N N 15 117.30 0.00 . 1 . . . . 291 . . . 5552 1 998 . 1 1 123 123 GLY CA C 13 44.73 0.00 . 1 . . . . 292 . . . 5552 1 999 . 1 1 124 124 VAL H H 1 8.04 0.00 . 1 . . . . 293 . . . 5552 1 1000 . 1 1 124 124 VAL HA H 1 4.33 0.00 . 1 . . . . 293 . . . 5552 1 1001 . 1 1 124 124 VAL HG11 H 1 0.83 0.00 . 1 . . . . 293 . . . 5552 1 1002 . 1 1 124 124 VAL HG12 H 1 0.83 0.00 . 1 . . . . 293 . . . 5552 1 1003 . 1 1 124 124 VAL HG13 H 1 0.83 0.00 . 1 . . . . 293 . . . 5552 1 1004 . 1 1 124 124 VAL CA C 13 54.63 0.00 . 1 . . . . 293 . . . 5552 1 1005 . 1 1 124 124 VAL CB C 13 41.71 0.00 . 1 . . . . 293 . . . 5552 1 1006 . 1 1 124 124 VAL N N 15 121.76 0.00 . 1 . . . . 293 . . . 5552 1 1007 . 1 1 125 125 ILE H H 1 8.07 0.00 . 1 . . . . 294 . . . 5552 1 1008 . 1 1 125 125 ILE HA H 1 4.36 0.00 . 1 . . . . 294 . . . 5552 1 1009 . 1 1 125 125 ILE HB H 1 2.05 0.00 . 1 . . . . 294 . . . 5552 1 1010 . 1 1 125 125 ILE HD11 H 1 0.92 0.00 . 1 . . . . 294 . . . 5552 1 1011 . 1 1 125 125 ILE HD12 H 1 0.92 0.00 . 1 . . . . 294 . . . 5552 1 1012 . 1 1 125 125 ILE HD13 H 1 0.92 0.00 . 1 . . . . 294 . . . 5552 1 1013 . 1 1 125 125 ILE CA C 13 59.34 0.00 . 1 . . . . 294 . . . 5552 1 1014 . 1 1 125 125 ILE CB C 13 32.22 0.00 . 1 . . . . 294 . . . 5552 1 1015 . 1 1 125 125 ILE N N 15 123.01 0.00 . 1 . . . . 294 . . . 5552 1 1016 . 1 1 127 127 PRO HA H 1 4.38 0.00 . 1 . . . . 296 . . . 5552 1 1017 . 1 1 127 127 PRO CA C 13 63.00 0.00 . 1 . . . . 296 . . . 5552 1 1018 . 1 1 127 127 PRO CB C 13 31.52 0.00 . 1 . . . . 296 . . . 5552 1 1019 . 1 1 128 128 ASN H H 1 7.96 0.00 . 1 . . . . 297 . . . 5552 1 1020 . 1 1 128 128 ASN HA H 1 4.79 0.00 . 1 . . . . 297 . . . 5552 1 1021 . 1 1 128 128 ASN CA C 13 56.96 0.00 . 1 . . . . 297 . . . 5552 1 1022 . 1 1 128 128 ASN CB C 13 31.24 0.00 . 1 . . . . 297 . . . 5552 1 1023 . 1 1 128 128 ASN N N 15 126.97 0.00 . 1 . . . . 297 . . . 5552 1 1024 . 1 1 134 134 GLN CA C 13 58.96 0.00 . 1 . . . . 303 . . . 5552 1 1025 . 1 1 134 134 GLN CB C 13 28.57 0.00 . 1 . . . . 303 . . . 5552 1 1026 . 1 1 135 135 LEU H H 1 8.71 0.00 . 1 . . . . 304 . . . 5552 1 1027 . 1 1 135 135 LEU HA H 1 4.33 0.00 . 1 . . . . 304 . . . 5552 1 1028 . 1 1 135 135 LEU CA C 13 57.78 0.00 . 1 . . . . 304 . . . 5552 1 1029 . 1 1 135 135 LEU CB C 13 42.28 0.00 . 1 . . . . 304 . . . 5552 1 1030 . 1 1 135 135 LEU N N 15 123.98 0.00 . 1 . . . . 304 . . . 5552 1 1031 . 1 1 136 136 LEU H H 1 8.33 0.00 . 1 . . . . 305 . . . 5552 1 1032 . 1 1 136 136 LEU HA H 1 4.24 0.00 . 1 . . . . 305 . . . 5552 1 1033 . 1 1 136 136 LEU HB3 H 1 1.86 0.00 . 1 . . . . 305 . . . 5552 1 1034 . 1 1 136 136 LEU HG H 1 1.76 0.00 . 1 . . . . 305 . . . 5552 1 1035 . 1 1 136 136 LEU HD11 H 1 0.99 0.00 . 1 . . . . 305 . . . 5552 1 1036 . 1 1 136 136 LEU HD12 H 1 0.99 0.00 . 1 . . . . 305 . . . 5552 1 1037 . 1 1 136 136 LEU HD13 H 1 0.99 0.00 . 1 . . . . 305 . . . 5552 1 1038 . 1 1 136 136 LEU CA C 13 58.05 0.00 . 1 . . . . 305 . . . 5552 1 1039 . 1 1 136 136 LEU CB C 13 41.20 0.00 . 1 . . . . 305 . . . 5552 1 1040 . 1 1 136 136 LEU CG C 13 27.00 0.00 . 1 . . . . 305 . . . 5552 1 1041 . 1 1 136 136 LEU CD1 C 13 23.90 0.00 . 1 . . . . 305 . . . 5552 1 1042 . 1 1 136 136 LEU N N 15 122.09 0.00 . 1 . . . . 305 . . . 5552 1 1043 . 1 1 137 137 GLN H H 1 7.90 0.00 . 1 . . . . 306 . . . 5552 1 1044 . 1 1 137 137 GLN HA H 1 4.28 0.00 . 1 . . . . 306 . . . 5552 1 1045 . 1 1 137 137 GLN HB3 H 1 1.84 0.00 . 1 . . . . 306 . . . 5552 1 1046 . 1 1 137 137 GLN HG2 H 1 2.35 0.00 . 1 . . . . 306 . . . 5552 1 1047 . 1 1 137 137 GLN HG3 H 1 2.58 0.00 . 1 . . . . 306 . . . 5552 1 1048 . 1 1 137 137 GLN CA C 13 58.38 0.00 . 1 . . . . 306 . . . 5552 1 1049 . 1 1 137 137 GLN CB C 13 27.96 0.00 . 1 . . . . 306 . . . 5552 1 1050 . 1 1 137 137 GLN N N 15 119.46 0.00 . 1 . . . . 306 . . . 5552 1 1051 . 1 1 138 138 PHE H H 1 8.34 0.00 . 1 . . . . 307 . . . 5552 1 1052 . 1 1 138 138 PHE HA H 1 4.69 0.00 . 1 . . . . 307 . . . 5552 1 1053 . 1 1 138 138 PHE HB3 H 1 3.63 0.00 . 1 . . . . 307 . . . 5552 1 1054 . 1 1 138 138 PHE HD1 H 1 7.42 0.00 . 3 . . . . 307 . . . 5552 1 1055 . 1 1 138 138 PHE CA C 13 59.85 0.00 . 1 . . . . 307 . . . 5552 1 1056 . 1 1 138 138 PHE CB C 13 40.15 0.00 . 1 . . . . 307 . . . 5552 1 1057 . 1 1 138 138 PHE N N 15 123.01 0.00 . 1 . . . . 307 . . . 5552 1 1058 . 1 1 139 139 GLU H H 1 8.45 0.00 . 1 . . . . 308 . . . 5552 1 1059 . 1 1 139 139 GLU HA H 1 3.64 0.00 . 1 . . . . 308 . . . 5552 1 1060 . 1 1 139 139 GLU CA C 13 59.76 0.00 . 1 . . . . 308 . . . 5552 1 1061 . 1 1 139 139 GLU CB C 13 30.49 0.00 . 1 . . . . 308 . . . 5552 1 1062 . 1 1 139 139 GLU N N 15 120.30 0.00 . 1 . . . . 308 . . . 5552 1 1063 . 1 1 140 140 THR H H 1 7.43 0.00 . 1 . . . . 309 . . . 5552 1 1064 . 1 1 140 140 THR HA H 1 4.06 0.00 . 1 . . . . 309 . . . 5552 1 1065 . 1 1 140 140 THR HB H 1 4.34 0.00 . 1 . . . . 309 . . . 5552 1 1066 . 1 1 140 140 THR HG21 H 1 1.37 0.00 . 1 . . . . 309 . . . 5552 1 1067 . 1 1 140 140 THR HG22 H 1 1.37 0.00 . 1 . . . . 309 . . . 5552 1 1068 . 1 1 140 140 THR HG23 H 1 1.37 0.00 . 1 . . . . 309 . . . 5552 1 1069 . 1 1 140 140 THR CA C 13 64.66 0.00 . 1 . . . . 309 . . . 5552 1 1070 . 1 1 140 140 THR CB C 13 68.51 0.00 . 1 . . . . 309 . . . 5552 1 1071 . 1 1 140 140 THR CG2 C 13 22.25 0.00 . 1 . . . . 309 . . . 5552 1 1072 . 1 1 140 140 THR N N 15 110.50 0.00 . 1 . . . . 309 . . . 5552 1 1073 . 1 1 141 141 GLN H H 1 7.53 0.00 . 1 . . . . 310 . . . 5552 1 1074 . 1 1 141 141 GLN HA H 1 4.16 0.00 . 1 . . . . 310 . . . 5552 1 1075 . 1 1 141 141 GLN HB3 H 1 2.27 0.00 . 1 . . . . 310 . . . 5552 1 1076 . 1 1 141 141 GLN HG3 H 1 2.52 0.00 . 1 . . . . 310 . . . 5552 1 1077 . 1 1 141 141 GLN CA C 13 57.50 0.00 . 1 . . . . 310 . . . 5552 1 1078 . 1 1 141 141 GLN CB C 13 28.41 0.00 . 1 . . . . 310 . . . 5552 1 1079 . 1 1 141 141 GLN N N 15 120.01 0.00 . 1 . . . . 310 . . . 5552 1 1080 . 1 1 142 142 VAL H H 1 7.87 0.00 . 1 . . . . 311 . . . 5552 1 1081 . 1 1 142 142 VAL HA H 1 3.80 0.00 . 1 . . . . 311 . . . 5552 1 1082 . 1 1 142 142 VAL HB H 1 1.84 0.00 . 1 . . . . 311 . . . 5552 1 1083 . 1 1 142 142 VAL HG11 H 1 0.54 0.00 . 1 . . . . 311 . . . 5552 1 1084 . 1 1 142 142 VAL HG12 H 1 0.54 0.00 . 1 . . . . 311 . . . 5552 1 1085 . 1 1 142 142 VAL HG13 H 1 0.54 0.00 . 1 . . . . 311 . . . 5552 1 1086 . 1 1 142 142 VAL HG21 H 1 0.38 0.00 . 1 . . . . 311 . . . 5552 1 1087 . 1 1 142 142 VAL HG22 H 1 0.38 0.00 . 1 . . . . 311 . . . 5552 1 1088 . 1 1 142 142 VAL HG23 H 1 0.38 0.00 . 1 . . . . 311 . . . 5552 1 1089 . 1 1 142 142 VAL CA C 13 63.83 0.00 . 1 . . . . 311 . . . 5552 1 1090 . 1 1 142 142 VAL CB C 13 32.20 0.00 . 1 . . . . 311 . . . 5552 1 1091 . 1 1 142 142 VAL CG1 C 13 21.19 0.00 . 1 . . . . 311 . . . 5552 1 1092 . 1 1 142 142 VAL CG2 C 13 19.86 0.00 . 1 . . . . 311 . . . 5552 1 1093 . 1 1 142 142 VAL N N 15 116.54 0.00 . 1 . . . . 311 . . . 5552 1 1094 . 1 1 143 143 LEU H H 1 7.77 0.00 . 1 . . . . 312 . . . 5552 1 1095 . 1 1 143 143 LEU HA H 1 4.30 0.00 . 1 . . . . 312 . . . 5552 1 1096 . 1 1 143 143 LEU HB2 H 1 1.46 0.00 . 1 . . . . 312 . . . 5552 1 1097 . 1 1 143 143 LEU HB3 H 1 1.74 0.00 . 1 . . . . 312 . . . 5552 1 1098 . 1 1 143 143 LEU HG H 1 1.60 0.00 . 1 . . . . 312 . . . 5552 1 1099 . 1 1 143 143 LEU HD11 H 1 0.76 0.00 . 1 . . . . 312 . . . 5552 1 1100 . 1 1 143 143 LEU HD12 H 1 0.76 0.00 . 1 . . . . 312 . . . 5552 1 1101 . 1 1 143 143 LEU HD13 H 1 0.76 0.00 . 1 . . . . 312 . . . 5552 1 1102 . 1 1 143 143 LEU HD21 H 1 0.60 0.00 . 1 . . . . 312 . . . 5552 1 1103 . 1 1 143 143 LEU HD22 H 1 0.60 0.00 . 1 . . . . 312 . . . 5552 1 1104 . 1 1 143 143 LEU HD23 H 1 0.60 0.00 . 1 . . . . 312 . . . 5552 1 1105 . 1 1 143 143 LEU CA C 13 54.74 0.00 . 1 . . . . 312 . . . 5552 1 1106 . 1 1 143 143 LEU CB C 13 40.97 0.00 . 1 . . . . 312 . . . 5552 1 1107 . 1 1 143 143 LEU CG C 13 26.38 0.00 . 1 . . . . 312 . . . 5552 1 1108 . 1 1 143 143 LEU CD1 C 13 25.28 0.00 . 1 . . . . 312 . . . 5552 1 1109 . 1 1 143 143 LEU CD2 C 13 21.70 0.00 . 1 . . . . 312 . . . 5552 1 1110 . 1 1 143 143 LEU N N 15 117.80 0.00 . 1 . . . . 312 . . . 5552 1 1111 . 1 1 144 144 CYS H H 1 7.59 0.00 . 1 . . . . 313 . . . 5552 1 1112 . 1 1 144 144 CYS HA H 1 4.46 0.00 . 1 . . . . 313 . . . 5552 1 1113 . 1 1 144 144 CYS HB3 H 1 2.96 0.00 . 1 . . . . 313 . . . 5552 1 1114 . 1 1 144 144 CYS CA C 13 58.47 0.00 . 1 . . . . 313 . . . 5552 1 1115 . 1 1 144 144 CYS CB C 13 27.48 0.00 . 1 . . . . 313 . . . 5552 1 1116 . 1 1 144 144 CYS N N 15 117.31 0.00 . 1 . . . . 313 . . . 5552 1 1117 . 1 1 145 145 HIS H H 1 7.80 0.00 . 1 . . . . 314 . . . 5552 1 1118 . 1 1 145 145 HIS HA H 1 4.46 0.00 . 1 . . . . 314 . . . 5552 1 1119 . 1 1 145 145 HIS HB2 H 1 3.06 0.00 . 1 . . . . 314 . . . 5552 1 1120 . 1 1 145 145 HIS HB3 H 1 3.25 0.00 . 1 . . . . 314 . . . 5552 1 1121 . 1 1 145 145 HIS HD2 H 1 7.12 0.00 . 1 . . . . 314 . . . 5552 1 1122 . 1 1 145 145 HIS CA C 13 57.20 0.00 . 1 . . . . 314 . . . 5552 1 1123 . 1 1 145 145 HIS CB C 13 30.51 0.00 . 1 . . . . 314 . . . 5552 1 1124 . 1 1 145 145 HIS N N 15 125.72 0.00 . 1 . . . . 314 . . . 5552 1 stop_ save_